8VOU
Human glutathione transferase M1-1 in complex with the adduct between glutathione and nitrooleic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2023-02-08 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.77490 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.383, 84.025, 213.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.180 - 2.550 |
| R-factor | 0.1957 |
| Rwork | 0.195 |
| R-free | 0.22650 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.820 |
| Data reduction software | xia2.multiplex |
| Data scaling software | xia2.multiplex |
| Phasing software | FFT |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.180 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.417 | 4.479 |
| Rmeas | 0.436 | 4.679 |
| Rpim | 0.122 | 1.307 |
| Number of reflections | 34465 | 1699 |
| <I/σ(I)> | 5.8 | 0.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 12.2 | 12.4 |
| CC(1/2) | 0.991 | 0.314 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% (w/v) PEG 3350, 0.1M Hepes-Na pH7.5 |
