4U9S
Crystal structure of NqrC from Vibrio cholerae
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 | 2013-10-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.690, 41.730, 61.410 |
Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
Resolution | 45.355 - 1.700 |
R-factor | 0.1871 |
Rwork | 0.186 |
R-free | 0.20560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lwx |
RMSD bond length | 0.010 |
RMSD bond angle | 0.952 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 | |
High resolution limit [Å] | 1.700 | 10.000 | 1.700 |
Rmerge | 0.184 | 0.072 | 6.997 |
Rmeas | 0.192 | 0.075 | 7.294 |
Total number of observations | 329901 | ||
Number of reflections | 25518 | 141 | 3985 |
<I/σ(I)> | 10.38 | 33.39 | 0.68 |
Completeness [%] | 99.9 | 98.6 | 99.7 |
Redundancy | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 0.03 M NaF, 0.03 M NaBr, 0.03 M NaI |