3RPN
Crystal structure of human kappa class glutathione transferase in complex with S-hexylglutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.364, 199.821, 66.714 |
| Unit cell angles | 90.00, 116.12, 90.00 |
Refinement procedure
| Resolution | 29.951 - 1.900 |
| R-factor | 0.1846 |
| Rwork | 0.183 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yzx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.989 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.046 | 0.030 | 0.279 |
| Number of reflections | 122112 | ||
| <I/σ(I)> | 15.6 | 2.7 | |
| Completeness [%] | 73.3 | 89.4 | 67.4 |
| Redundancy | 2.7 | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
| 1 | hanging drop | 7 | 293 | 20% polyethylene glycol 3350, 0.2M NaSCN, pH 7.0, hanging drop, temperature 293K |
