6MRJ
Crystal structure of H.pylori NikR in complex with DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.370, 94.180, 204.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.470 - 2.800 |
R-factor | 0.2088 |
Rwork | 0.207 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lgh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.490 | 2.930 |
High resolution limit [Å] | 2.800 | 2.800 |
Rpim | 0.192 | |
Number of reflections | 35339 | 4619 |
<I/σ(I)> | 10.9 | 0.5 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 123.2 | 120.7 |
CC(1/2) | 0.994 | 0.380 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 285 | 20% PEG 3350, 0.2M NaF, 20mM HEPES pH 8.0, 0.1M NaCl, 10mM Mg2Cl |