2QR2
HUMAN QUINONE REDUCTASE TYPE 2, COMPLEX WITH MENADIONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-09-01 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.600, 106.270, 56.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.450 |
| R-factor | 0.212 * |
| Rwork | 0.218 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 22.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.560 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.085 * | 0.465 * |
| Total number of observations | 101551 * | |
| Number of reflections | 18052 | |
| <I/σ(I)> | 23 | 2.9 |
| Completeness [%] | 97.6 | 85.8 |
| Redundancy | 5.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 18 * | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | menadione | 0.200 (mM) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.66 (M) | |
| 3 | 1 | reservoir | sodium HEPES | 10 (mM) | |
| 4 | 1 | reservoir | FAD | 0.012 (mM) | |
| 5 | 1 | reservoir | dithiothreitol | 5 (mM) |
