8BHE
K141H and S142H double mutant of hGSTA1-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.499, 79.609, 93.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.640 - 1.870 |
| R-factor | 0.2027 |
| Rwork | 0.201 |
| R-free | 0.23950 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.009 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.680 | 1.920 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmeas | 0.048 | 1.245 |
| Number of reflections | 37747 | 1358 |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 95.0 | 36.9 |
| Redundancy | 4.6 | 1.5 |
| CC(1/2) | 1.000 | 0.514 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG 4000 17-20% w/v, Na malonate 0.2 M |
