3VM0
Assimilatory nitrite reductase (Nii3) - N226K mutant - NO2 complex from tobacco leaf
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-02-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 133.229, 133.229, 77.644 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.760 - 1.695 |
| R-factor | 0.1642 |
| Rwork | 0.163 |
| R-free | 0.18570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b0g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.695 | 3.660 | 1.695 |
| Rmerge | 0.063 | 0.036 | 0.506 |
| Number of reflections | 76165 | ||
| <I/σ(I)> | 11.6 | 88.04 | 5.24 |
| Completeness [%] | 98.4 | 99.2 | 94.7 |
| Redundancy | 12 | 13.7 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 277 | PEG4000, Tris-HCl, MgCl2, MPD, NaNO2, pH 8.5, vapor diffusion, temperature 277K |
