2YQB
Structure of P93A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.4 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-10 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | H 3 |
Unit cell lengths | 127.849, 127.849, 86.628 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.070 - 1.410 |
R-factor | 0.11342 |
Rwork | 0.112 |
R-free | 0.14693 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4AWW |
RMSD bond length | 0.016 |
RMSD bond angle | 1.607 |
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] | 18.080 | 1.480 |
High resolution limit [Å] | 1.410 | 1.410 |
Rmerge | 0.090 | 0.590 |
Number of reflections | 102529 | |
<I/σ(I)> | 9.5 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 20MM MES PH 6.5, 20% PEG3350, 0.2M SODIUM CITRATE, 200 MM NACL |