1E2R
CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED AND CYANIDE BOUND
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-12-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 106.500, 60.900, 100.100 |
| Unit cell angles | 90.00, 111.90, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.590 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aof |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.650 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.081 * | |
| Total number of observations | 599187 * | |
| Number of reflections | 156509 | |
| <I/σ(I)> | 16.8 | 5.2 |
| Completeness [%] | 97.8 | 96.7 |
| Redundancy | 3.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 18 * | 2.3 M AMMONIUM SULFATE, 50MM POTASSIUM PHOSPHATE, PH 7.0, AND CRYOPROTECTANT 15% GLYCEROL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 40 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.2-2.3 (M) | |
| 3 | 1 | reservoir | potassium phosphate | 50 (mM) | pH7.0 |
