3RKH
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with nitrite (full occupancy)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | KURCHATOV SNC BEAMLINE K4.4 |
Synchrotron site | KURCHATOV SNC |
Beamline | K4.4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-09 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 3 |
Unit cell lengths | 192.800, 192.800, 192.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 1.830 |
R-factor | 0.14239 |
Rwork | 0.141 |
R-free | 0.16196 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ot4 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.700 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 136.330 | 1.900 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.120 | 0.671 |
Number of reflections | 208153 | |
<I/σ(I)> | 20 | 3.9 |
Completeness [%] | 99.8 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 278 | Protein solution (2.5 uL): 11.6 mg/mL TvNiR, 0.05 M Tris-HCl, pH 8.0, reservoir solution (2.5 uL): 0.2 M ammonium acetate, 0.1 M citric acid trisodium salt, pH 5.6, 30% MPD, 0.1 M sodium nitrite, VAPOR DIFFUSION, HANGING DROP, temperature 278.0K |