6F1Q
Crystal structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii in I213 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | I 21 3 |
Unit cell lengths | 180.853, 180.853, 180.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.13547 |
Rwork | 0.134 |
R-free | 0.16166 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ziy |
RMSD bond length | 0.015 |
RMSD bond angle | 1.670 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.101 | 0.730 |
Number of reflections | 43479 | 4312 |
<I/σ(I)> | 13.6 | 2.2 |
Completeness [%] | 1.0 | 99.2 |
Redundancy | 5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 22% PEG3350, 100mM sodium citrate, Bis-Tris propan pH6.5 |