1ZX1
Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-22 |
| Wavelength(s) | 0.90010 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.328, 84.341, 106.579 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.160 |
| R-factor | 0.17591 |
| Rwork | 0.174 |
| R-free | 0.20656 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qr2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.516 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 29187 | |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 97.4 | 82.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | Hepes, ammonium sulphate, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
