3VKR
Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with high X-ray dose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2011-02-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 134.165, 134.165, 78.002 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.220 - 1.600 |
| R-factor | 0.1531 |
| Rwork | 0.152 |
| R-free | 0.16470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b0g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.254 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.079 | 0.033 | 0.425 |
| Number of reflections | 93509 | ||
| <I/σ(I)> | 7.8 | 76.07 | 5.9 |
| Completeness [%] | 99.5 | 99.8 | 97.8 |
| Redundancy | 13.2 | 14.1 | 12.8 |
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 |
