3OWM
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with hydroxylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-05 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.81 |
Spacegroup name | P 21 3 |
Unit cell lengths | 192.529, 192.529, 192.529 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 1.650 |
R-factor | 0.13999 |
Rwork | 0.139 |
R-free | 0.15372 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ot4 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.567 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.000 | 1.670 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.058 | 0.453 |
Number of reflections | 281694 | |
<I/σ(I)> | 40 | 3.8 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 5.8 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 278 | Protein solution (5mcl): 14.5mg/ml TvNiR, 0.05M Tris borate (pH8.7). Reservoir solution (5mcl): 0.2M tri-sodium citrate dihydrate, 0.1M Tris hydrochloride (pH8.5), 30% v/v PEG 400. Crystal was soaked in 0.1M hydroxylamine solution for 30min., VAPOR DIFFUSION, HANGING DROP, temperature 278.0K |