1DOH
STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND 4-NITRO-INDEN-1-ONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-18 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 142.800, 142.800, 72.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.25700 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.451 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.092 | 0.283 |
| Total number of observations | 209443 * | |
| Number of reflections | 47473 | |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 94.6 | 76 |
| Redundancy | 4.4 | 2.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | PEG6000, GLYCEROL, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 20 (%) | |
| 2 | 1 | reservoir | glycerol | 10 (%) | |
| 3 | 1 | reservoir | MES-NaOH | 0.1 (M) | |
| 4 | 1 | drop | protein | 20-23 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 50 (mM) | |
| 6 | 1 | drop | NADPH | 10 (mM) | |
| 7 | 1 | drop | inhibitor | 2 (mM) |
