1XI2
Quinone Reductase 2 in Complex with Cancer Prodrug CB1954
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-08 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.475, 106.455, 56.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.200 - 1.500 |
| R-factor | 0.233 |
| Rwork | 0.216 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.200 | |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 78011 | |
| Completeness [%] | 95.8 | 95.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | ammonium sulfate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
