8AD4
X-ray structure of NqrF(129-408)of Vibrio cholerae in complex with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2009-06-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.200, 89.380, 95.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.380 - 1.500 |
R-factor | 0.1802 |
Rwork | 0.179 |
R-free | 0.20490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u9u |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.380 | 48.380 | 1.600 |
High resolution limit [Å] | 1.500 | 12.000 | 1.500 |
Rmerge | 0.063 | 0.032 | 0.939 |
Rmeas | 0.071 | 0.036 | 1.163 |
Total number of observations | 390283 | ||
Number of reflections | 93788 | 227 | 13219 |
<I/σ(I)> | 15.05 | 41.13 | 1.14 |
Completeness [%] | 94.6 | 95.8 | 76.6 |
Redundancy | 4.161 | 4.132 | 2.34 |
CC(1/2) | 0.999 | 0.998 | 0.455 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 0.1 M Citrate, 0.2 M MgAcetate, 35% PEG5000 MME |