4I8C
X-ray structure of NikA in complex with Ni-(L-His)2
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 | 2012-09-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9798 |
Spacegroup name | P 62 |
Unit cell lengths | 158.630, 158.630, 135.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.500 - 2.503 |
R-factor | 0.1907 |
Rwork | 0.189 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dp8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.091 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 66527 | |
<I/σ(I)> | 2.34 | |
Completeness [%] | 98.0 | 96.4 |
Redundancy | 2.58 | 2.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 1.5M Ammonium sulfate, 0.1M sodium acetate, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |