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 |