1NDT
NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 |
| Unit cell lengths | 81.236, 81.236, 100.034 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.164 |
| Rwork | 0.167 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1AFN MONOMER |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.040 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.400 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.073 | 0.307 |
| Total number of observations | 135597 * | |
| Number of reflections | 21904 | |
| <I/σ(I)> | 9.4 | 2.3 |
| Completeness [%] | 98.6 | 99.3 |
| Redundancy | 4.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6 * | 4 * | pH 4.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 28 (%) | |
| 2 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 3 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | MES | 20 (mM) |
