1G0N
STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND 4,5,6,7-TETRACHLORO-PHTHALIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 102 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08-26 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 140.500, 140.500, 72.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.195 * |
| Rwork | 0.195 |
| R-free | 0.24400 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.470 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.351 |
| Total number of observations | 208682 * | |
| Number of reflections | 54812 * | |
| <I/σ(I)> | 15.1 | |
| Completeness [%] | 96.5 | 76.4 |
| Redundancy | 3.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | PEG 6K, glycerol, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 274K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 14 (%) | |
| 2 | 1 | reservoir | glycerol | 14 (%) | |
| 3 | 1 | reservoir | HEPES | 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) |
