1NDR
CRYSTALLOGRAPHIC STRUCTURE OF A BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 286 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-12-16 |
| Detector | FUJI |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.150, 101.720, 150.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 3.000 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NITRITE REDUCTASE PDB CODE 1AFN |
| RMSD bond length | 0.019 |
| RMSD bond angle | 27.200 * |
| Data reduction software | WEIS |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.500 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.085 | 0.177 |
| Total number of observations | 53045 * | |
| Number of reflections | 16691 | |
| <I/σ(I)> | 8.1 | 4.1 |
| Completeness [%] | 79.3 | 57.6 * |
| Redundancy | 3.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 4.6 | 277 | 28% PEG 4000, 0.1M SODIUM ACETATE, PH 4.6, 4 DEGREES C, temperature 277K |
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 | PEG4000 | 28 (%) | |
| 5 | 1 | drop | sodium acetate | 0.1 (M) | |
| 6 | 1 | drop | ammonium acetate | 0.2 (M) | |
| 7 | 1 | drop | AxNiR | 10 (mg/ml) | |
| 8 | 1 | drop | MES | 20 (mM) |
