3F29
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with sulfite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.840 |
Spacegroup name | P 21 3 |
Unit cell lengths | 193.568, 193.568, 193.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.970 - 2.000 |
R-factor | 0.15476 |
Rwork | 0.154 |
R-free | 0.17395 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.259 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.080 |
High resolution limit [Å] | 2.000 | 2.020 |
Rmerge | 0.060 | 0.062 |
Number of reflections | 157823 | |
<I/σ(I)> | 25.5 | 13.3 |
Completeness [%] | 97.6 | 97.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 278 | Protein solution (5mcl): 14.5mg/ml TvNiR, 0.005M Tris borate (pH8.7), Reservoir solution (5mcl): 0.2M tri-sodium citrate dihydrate, 0.1M Tris hydrochloride (pH8.5), 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 278.0K |