8AI8
Crystal structure 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 | 92.483, 92.483, 193.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.800 - 1.700 |
| R-factor | 0.2049 |
| Rwork | 0.204 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lsz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.058 | 1.168 |
| Number of reflections | 92986 | 4529 |
| <I/σ(I)> | 24.8 | 1.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.9 | |
| CC(1/2) | 1.000 | 0.832 |
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 |
