3ZBM
Structure of M92A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-11 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | H 3 |
Unit cell lengths | 128.410, 128.410, 86.090 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.140 - 1.870 |
R-factor | 0.14047 |
Rwork | 0.139 |
R-free | 0.16822 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4AWW |
RMSD bond length | 0.016 |
RMSD bond angle | 1.522 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.000 | 1.920 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.120 | 0.760 |
Number of reflections | 43074 | |
<I/σ(I)> | 7.1 | 1.8 |
Completeness [%] | 98.9 | 88.8 |
Redundancy | 5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 20MM MES PH 6.5 20% PEG3350, 0.2 SODIUM CITRATE, 200 MM NACL, PROTEIN CONCENTRATION 7.5 MG/ML |