1NPJ
Crystal structure of H145A mutant of nitrite reductase from Alcaligenes faecalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-10 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.600, 102.520, 146.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.410 - 1.900 |
| Rwork | 0.177 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j9q |
| RMSD bond length | 0.009 |
| RMSD bond angle | 26.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.088 * | 0.261 * |
| Number of reflections | 64626 | 12511 * |
| <I/σ(I)> | 4 | |
| Completeness [%] | 87.6 | 86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.5 | 300 | PEG 8000, sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH5.5 |
| 2 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.7 |
| 3 | 1 | reservoir | zinc acetate | 2 (mM) | |
| 4 | 1 | reservoir | 2 (mM) | pH5.5 | |
| 5 | 1 | reservoir | PEG600 | 8-12 (%) |
