1NDS
CRYSTALLOGRAPHIC STRUCTURE OF A SUBSTRATE BOUND BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 286 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-04-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.890, 102.200, 151.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.800 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NITRITE REDUCTASE PDB CODE 1AFN |
| RMSD bond length | 0.022 |
| RMSD bond angle | 27.400 * |
| Data reduction software | DENZO |
| 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] | 53.000 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.053 | 0.101 |
| Total number of observations | 76663 * | |
| Number of reflections | 24358 | |
| <I/σ(I)> | 9.3 | 6.3 |
| Completeness [%] | 91.9 | 82.5 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 4.6 | 277 | used to seeding * |
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) |
