3ZIY
Structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.01 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-04 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | H 3 |
Unit cell lengths | 128.177, 128.177, 86.314 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.760 - 1.010 |
R-factor | 0.10962 |
Rwork | 0.109 |
R-free | 0.12182 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z00 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.855 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.050 |
High resolution limit [Å] | 1.010 | 1.010 |
Rmerge | 0.080 | 0.620 |
Number of reflections | 277728 | |
<I/σ(I)> | 18 | 2 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PEG, SODIUM CITRITE, pH 6.5 |