1KBQ
Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-24 |
| Detector | BRANDEIS - B4 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.480, 56.772, 96.907 |
| Unit cell angles | 77.25, 76.83, 86.90 |
Refinement procedure
| Resolution | 32.190 - 1.800 |
| R-factor | 0.215 * |
| Rwork | 0.215 |
| R-free | 0.25700 * |
| Structure solution method | FOURIER |
| Starting model (for MR) | 1ad4 |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.390 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.096 * | |
| Number of reflections | 103269 | |
| <I/σ(I)> | 1 | |
| Completeness [%] | 98.0 | 85 * |
| Redundancy | 3.4 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 25 * | Faig, M., (2000) Proc.Natl.Acad.Sci.USA, 97, 3177. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-15 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 25 (mM) | |
| 3 | 1 | drop | FAD | 0.005 (mM) | |
| 4 | 1 | reservoir | PEG3350 | 30 (%) | |
| 5 | 1 | reservoir | sodium acetate | 200 (mM) | |
| 6 | 1 | reservoir | sodium tricine | 100 (mg/ml) | |
| 7 | 1 | reservoir | FAD | 0.012-0.024 (mM) |
