3VKS
Assimilatory nitrite reductase (Nii3) - NO complex from tobbaco leaf
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2008-04-19 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 132.758, 132.758, 77.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.490 - 1.400 |
| R-factor | 0.1617 |
| Rwork | 0.161 |
| R-free | 0.16780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b0g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.214 |
| 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 | 1.450 |
| High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
| Rmerge | 0.062 | 0.040 | 0.499 |
| Number of reflections | 134875 | ||
| <I/σ(I)> | 9 | 60.12 | 3.58 |
| Completeness [%] | 99.6 | 97.2 | 100 |
| Redundancy | 9.1 | 8.9 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 277 | PEG4000, Tris-HCl, MgCl2, MPD, NaNO2, ascorbic acid, pH 8.5, VAPOR DIFFUSION, temperature 277K |
