3O73
Crystal structure of quinone reductase 2 in complex with the indolequinone MAC627
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.080, 82.050, 106.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.450 - 2.000 |
| R-factor | 0.22345 |
| Rwork | 0.220 |
| R-free | 0.28798 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qr2 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.921 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.450 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 28053 | |
| <I/σ(I)> | 7.5 | 2 |
| Completeness [%] | 82.3 | 86.3 |
| Redundancy | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.60M ammonium sulphate, 100mM Na-HEPES pH 7, 12uM FAD, 1mM dithiothreitol, 200uM indolequinone MAC627, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
