6ZB6
Crystal structure of Lolium rigidum GSTF in complex with S-(p-nitrobenzyl) glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.562, 98.500, 95.900 |
Unit cell angles | 90.00, 109.13, 90.00 |
Refinement procedure
Resolution | 66.680 - 1.900 |
R-factor | 0.1649 |
Rwork | 0.164 |
R-free | 0.20290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bye |
RMSD bond length | 0.007 |
RMSD bond angle | 0.832 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.700 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.113 | 0.862 |
Rpim | 0.583 | |
Number of reflections | 126047 | 5801 |
<I/σ(I)> | 7.4 | 1.4 |
Completeness [%] | 98.3 | 91.5 |
Redundancy | 3.9 | 3.1 |
CC(1/2) | 0.998 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 20% w/v Sokalan PA 25CL, 0.1 M Hepes, 0.1 M Sodium tartrate |