4XKQ
Crystal structure of NikA from Staphylococcus aureus in complex with Ni(L-His)2 (co-crystallization with Ni(II) and CD medium supernatant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00446 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.500, 67.220, 116.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.770 - 1.900 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ofj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.249 |
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] | 45.770 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 39047 | |
<I/σ(I)> | 13.6 | 3.14 |
Completeness [%] | 99.4 | 97.7 |
Redundancy | 6.2 | 6.2 |
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 CD medium supernatant. |