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 |
