3MZB
X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Detector technology | CCD |
Collection date | 2008-06-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.96850 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.040, 93.873, 124.726 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.930 - 1.700 |
R-factor | 0.18909 |
Rwork | 0.187 |
R-free | 0.22312 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zlq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.930 | |
High resolution limit [Å] | 1.700 | 1.800 |
Number of reflections | 108346 | |
<I/σ(I)> | 16.42 | 5.45 |
Completeness [%] | 96.0 | 92 |
Redundancy | 5.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 1.8M ammonium sulfate, 0.1M sodium acetate, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |