8BSN
Human GLS in complex with compound 27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 140.484, 140.484, 157.398 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.460 - 2.494 |
R-factor | 0.2048 |
Rwork | 0.204 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.460 | 2.560 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.066 | 0.760 |
Rmeas | 0.073 | 0.828 |
Rpim | 0.030 | 0.355 |
Number of reflections | 27670 | 1958 |
<I/σ(I)> | 23.8 | 2.4 |
Completeness [%] | 99.7 | 96.9 |
Redundancy | 10.8 | 9.8 |
CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.8M Lithium sulphate 0.1M BisTris pH 6.5 |