4Z3D
Human carbonyl reductase 1 with glutathione in a protective configuration
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2014-11-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.99, 1.5 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.567, 57.180, 99.453 |
| Unit cell angles | 82.99, 87.32, 85.66 |
Refinement procedure
| Resolution | 30.020 - 1.800 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.21200 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.305 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 38.260 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 184583 |
| <I/σ(I)> | 2.54 |
| Completeness [%] | 96.1 |
| Redundancy | 7.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.6 | 293 | 0.2M Ammonium acetate, 0.1M Sodium acetate trihydrate pH 4.6, 28% w/v Polyethylene glycol 4000 |
