6HJB
Xray structure of GLIC in complex with malonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 200 |
Detector technology | PIXEL |
Collection date | 2015-04-09 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.099, 133.366, 158.987 |
Unit cell angles | 90.00, 101.35, 90.00 |
Refinement procedure
Resolution | 49.000 - 3.000 |
R-factor | 0.1827 |
Rwork | 0.182 |
R-free | 0.19900 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 3.300 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 312634 | |
<I/σ(I)> | 7.8 | |
Completeness [%] | 99.7 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM Na-malonate pH4 400 mM Na-Isothiocyanate 12-15% PEG4000 2% DMSO 16% Glycerol |