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) |