2E81
Cytochrome c Nitrite Reductase from Wolinella succinogenes with bound intermediate hydroxylamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 119.891, 119.891, 186.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| Rwork | 0.186 |
| R-free | 0.22290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fs7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 2.259 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.488 |
| Number of reflections | 45781 | |
| <I/σ(I)> | 12.8 | 2 |
| Completeness [%] | 99.5 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | 12% PEG 4000, 0.2M ammonium sulfate, 0.015M yttrium chloride, 0.1M sodium acetate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
