6YUE
Fragment of nitrate/nitrite sensor histidine kinase NarQ (R50S variant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9724 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 57.933, 73.702, 236.166 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.700 - 2.400 |
R-factor | 0.2885 |
Rwork | 0.285 |
R-free | 0.36740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iji |
RMSD bond length | 0.003 |
RMSD bond angle | 0.580 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.700 | 2.595 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 6860 | 490 |
<I/σ(I)> | 10.1 | 3.2 |
Completeness [%] | 87.1 | 56.8 |
Redundancy | 4.6 | 5.7 |
CC(1/2) | 0.998 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 295 | 1.2 M KH2PO4/Na2HPO4 pH 4.6 |