8AIB
R11A variant of glutathione transferase Chi 1 from Synechocystis sp. PCC 6803 in complex with glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM07 |
| Synchrotron site | ESRF |
| Beamline | BM07 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 92.196, 92.196, 193.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.350 - 2.200 |
| R-factor | 0.2166 |
| Rwork | 0.215 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8ai8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 1.086 |
| Number of reflections | 39298 | 2006 |
| <I/σ(I)> | 18.4 | 2.4 |
| Completeness [%] | 91.3 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 277 | 16% (w/v) PEG 8000, 40 mM potassium phosphate monobasic and 20% (w/v) glycerol |
