7RKA
Crystal structure analysis of Colorado potato beetle glutathione-S transferase LdGSTu1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 58.452, 46.440, 87.192 |
| Unit cell angles | 90.00, 91.35, 90.00 |
Refinement procedure
| Resolution | 29.220 - 1.800 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.18250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zfg |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.220 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.044 | 0.249 |
| Rmeas | 0.053 | 0.330 |
| Rpim | 0.029 | 0.213 |
| Number of reflections | 42482 | 3476 |
| <I/σ(I)> | 16.28 | 2.71 |
| Completeness [%] | 97.1 | 79.63 |
| Redundancy | 3.2 | 2 |
| CC(1/2) | 0.999 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 291 | 0.1 M MES, pH 6.5, 0.2 M sodium chloride, 20% w/v PEG4000 |
