3O76
1.8 Angstroms molecular structure of mouse liver glutathione S-transferase mutant C47A complexed with S-(P-nitrobenzyl)glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-02-25 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.612, 60.612, 233.888 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.770 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1glq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.142 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 43759 | |
| Completeness [%] | 98.2 | 88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 293 | 20% PEG 6000, 0.1 M sodium citrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
