SHELX statistics

Tool stats & trends

Looking to identify usage trends or leading experts?


SHELX specifications


Unique identifier OMICS_30554
Software type Application/Script
Interface Command line interface
Restrictions to use Academic or non-commercial use
Operating system Unix/Linux, Mac OS, Windows
Computer skills Advanced
Stability Stable
Maintained Yes


  • AnoDE


No version available


  • person_outline George Sheldrick

Additional information

Publications for SHELX

SHELX citations


Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation

Sci Rep
PMCID: 5956060
PMID: 29769611
DOI: 10.1038/s41598-018-26048-6

[…] nchrotron radiation (λ = 0.7000 Å) at the 2D SMC beamline of Pohang Accelerator Laboratory (PAL). The diffraction images were processed using HKL3000. The structures were solved by the direct method (SHELXS-97) and refined by full-matrix least squares calculations on F2 (SHELXL-2016) using the SHELX-TL program package. […]


Organoruthenium(II) Complexes Ameliorates Oxidative Stress and Impedes the Age Associated Deterioration in Caenorhabditis elegans through JNK 1/DAF 16 Signalling

Sci Rep
PMCID: 5955923
PMID: 29769649
DOI: 10.1038/s41598-018-25984-7
call_split See protocol

[…] he new Ru(II) complexes 3 and4 were done at 293 K with CCD Kappa Diffractometer using graphite mono chromated Mo Kα (k = 0.71073 Å and 1.54184 Å) radiation. The structure solutions were done by using SHELXS-97 and refined by full matrix least square on F2 using SHELXL-2014. […]


Ratchet free solid state inertial rotation of a guest ball in a tight tubular host

Nat Commun
PMCID: 5954156
PMID: 29765050
DOI: 10.1038/s41467-018-04325-2
call_split See protocol

[…] ctory with dry nitrogen gas flow. The diffraction data were processed with the XDS software program. The structure was solved by direct method and refined by full-matrix least-squares on F2 using the SHELXL-2014/7 program suite running with the Yadokari-XG 2009 software program. In the refinements, fullerene molecules were treated as four rigid body models and restrained by SIMU, alkyl groups were […]


Stereoselective synthesis, X ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents

Chem Cent J
PMCID: 5945573
PMID: 29748782
DOI: 10.1186/s13065-018-0420-7
call_split See protocol

[…] a BrukerAPEX-II D8 Venture area diffractometer, equipped with graphite monochromatic Mo Kα radiation, λ = 0.71073 Å at 100 (2) K. Cell refinement and data reduction were carried out by Bruker SAINT. SHELXT [, ] was used to solve structure. The final refinement was carried out by full-matrix least-squares techniques with anisotropic thermal data for nonhydrogen atoms on F. CCDC 1504892 and 1505279 […]


Structural determinants influencing halogen bonding: a case study on azinesulfonamide analogs of aripiprazole as 5 HT1A, 5 HT7, and D2 receptor ligands

Chem Cent J
PMCID: 5945563
PMID: 29748774
DOI: 10.1186/s13065-018-0422-5

[…] []. Data were processed with the same program. Experiments were performed at 100 K excepting crystal of 4, which was measured at room temperature. The phase problem was solved by direct methods with SHELXS-97 []. The model parameters were refined by full-matrix least-squares on F2 using SHELXL-2014/7 []. All non-hydrogen atoms were refined anisotropically. Hydrogen atoms were introduced to all st […]


Structural insights into the nanomolar affinity of RING E3 ligase ZNRF1 for Ube2N and its functional implications

PMCID: 5941314
PMID: 29626159
DOI: 10.1042/BCJ20170909
call_split See protocol

[…] followed by scaling and merging in AIMLESS/POINTLESS from the CCP4 software suite []. The anomalous signal of Zn2+ atoms was utilized for initial SAD phasing of the Ube2N : ZNRF1CTD crystal using the SHELX suite [] and the model was built using BUCCANEER []. Subsequent rounds of manual building and refinements were carried out using COOT [], REFMAC5 [], and Phenix.Refine []. […]


Looking to check out a full list of citations?

SHELX institution(s)
Structural Biology, IBMB-CSIC, Barcelona, Spain; ICREA, Barcelona, Spain; Department of Structural Chemistry, Georg-August Universitat Gottingen, Gottingen, Germany
SHELX funding source(s)
Supported by the State of Niedersachsen and the Volkswagenstiftung, and grants BIO2015-64216-P, BIO2013- 49604-EXP and MDM2014-0435 from the Spanish Ministry of Economy and Competitiveness.

SHELX reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review SHELX