3B0N
Q448K mutant of assimilatory nitrite reductase (Nii3) from tobbaco 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] | 100 |
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 | 133.455, 133.455, 77.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.660 - 2.000 |
R-factor | 0.1557 |
Rwork | 0.154 |
R-free | 0.18580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.419 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.088 | 0.054 | 0.416 |
Number of reflections | 47946 | ||
<I/σ(I)> | 10.1 | 79.57 | 8.09 |
Completeness [%] | 99.8 | 99.3 | 99.6 |
Redundancy | 13.4 | 13.6 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 277 | PEG4000, Tris-HCl, MgCl2, MPD, pH 8.5, vapor diffusion, temperature 277K |