2C4J
Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.176, 67.768, 115.705 |
| Unit cell angles | 90.00, 99.06, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.350 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gtu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.161 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.080 | 0.850 |
| Number of reflections | 194076 | |
| <I/σ(I)> | 23 | 2.8 |
| Completeness [%] | 98.2 | 87.8 |
| Redundancy | 3.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | HANGING DROP VAPOUR TECHNIQUE. 5 MICRLITRES OF PROTEIN AT 10MG/ML IN 20 MM TRIS-HCL, PH 8.0 WERE MIXED WITH 5 MICROLITRES OF RESERVOIR SOLUTION CONTAINING 100 MM TRIS-HCL, PH 7.8, 2MM DTT, 25% PEG 4000 AND 1 MICROLITRE OF 20MM GLUTATHIONE CONJUGATE WITH STYRENE OXIDE |
