1KBO
Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.636, 57.026, 96.878 |
| Unit cell angles | 76.80, 76.93, 86.28 |
Refinement procedure
| Resolution | 35.550 - 2.300 |
| R-factor | 0.204 * |
| Rwork | 0.200 |
| R-free | 0.28600 * |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.500 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.098 * | |
| Number of reflections | 47881 | |
| <I/σ(I)> | 13.57 | 1.7 |
| Completeness [%] | 96.5 | 94.3 |
| Redundancy | 2.7 |
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) |
