4XKP
Crystal structure of NikA from Staphylococcus aureus in complex with Ni(L-His)2 (co-crystallization with Ni(II) and BHI medium supernatant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97901 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.340, 67.240, 115.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.720 - 1.900 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ofj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.941 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.720 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 38955 | |
| <I/σ(I)> | 13.13 | 2.58 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 27% PEG 3350, 0.1 M HEPES pH 7.0 - protein pre-incubated with NiCl2 and BHI medium supernatant. |
