3BNH
W. succinogenes NrfA Y218F Nitrite Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 120.768, 120.768, 186.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.490 - 1.750 |
| R-factor | 0.17908 |
| Rwork | 0.177 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fs7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.398 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 69581 | |
| <I/σ(I)> | 12.2 | 2.1 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | PEG 4000, ammonium sulfate, yttrium chloride, acetate buffer, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
