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 |