4OES
Crystal structure of NikA from Brucella suis in complex with Fe(III)-EDTA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97973 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.710, 76.300, 59.580 |
| Unit cell angles | 90.00, 109.51, 90.00 |
Refinement procedure
| Resolution | 46.845 - 1.951 |
| R-factor | 0.1949 |
| Rwork | 0.192 |
| R-free | 0.24080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oer |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.459 |
| 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] | 46.850 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 43076 | |
| <I/σ(I)> | 10.96 | 3.45 |
| Completeness [%] | 97.7 | 93.3 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.0 M ammonium sulfate, 0.1 M Tris pH 8.5, 25 mM MgSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
