1BQ5
NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS GIFU 1051
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06-03 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 63 |
| Unit cell lengths | 106.565, 106.565, 63.578 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.050 |
| R-factor | 0.18 * |
| Rwork | 0.180 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NIR FROM ACHROMOBACTER CYCLOCLASTES |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.780 | 2.250 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.054 | 0.182 |
| Total number of observations | 89691 * | |
| Number of reflections | 23309 | |
| <I/σ(I)> | 13.9 | 3.8 |
| Completeness [%] | 87.3 | 78.7 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 20 * | pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 0.1 (M) | |
| 3 | 1 | drop | sodium acetate | 0.2 (M) | |
| 4 | 1 | drop | PEG4000 | 12 (%) | |
| 5 | 1 | reservoir | PEG4000 | 24 (%) | |
| 6 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 7 | 1 | reservoir | sodium acetate | 0.2 (M) |
