4OFJ
Crystal structure of NikA from Staphylococcus aureus in complex with Ni(L-His)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | PIXEL |
| Collection date | 2012-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98400 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.900, 67.720, 115.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.689 - 1.700 |
| R-factor | 0.1501 |
| Rwork | 0.148 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rqt |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.564 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.690 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 53990 | |
| <I/σ(I)> | 17.04 | 4.23 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 27 % PEG 3350, 0.1 M HEPES pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
