3ZFL
Crystal structure of the V58A mutant of human class alpha glutathione transferase in the apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER X8 PROTEUM |
| Temperature [K] | 106 |
| Collection date | 2011-06-29 |
| Detector | BRUKER |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.893, 93.283, 51.573 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 49.870 - 1.880 |
| R-factor | 0.22139 |
| Rwork | 0.218 |
| R-free | 0.28943 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3l |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.780 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.830 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.090 | 0.910 |
| Number of reflections | 42694 | |
| <I/σ(I)> | 9.34 | 2.59 |
| Completeness [%] | 99.0 | 92.8 |
| Redundancy | 5.37 | 3.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M TRIS, 19% PEG 3350, 2 MM DTT, 0.02% AZIDE, PH 7.5, VAPOUR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
