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 |
