4U9O
Crystal structure of NqrA from Vibrio cholerae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.270, 84.310, 102.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.155 - 1.600 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.20110 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.815 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.000 | 45.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 20.000 | 1.600 |
| Rmerge | 0.070 | 0.044 | 3.832 |
| Rmeas | 0.071 | 0.046 | 3.886 |
| Total number of observations | 1698531 | ||
| Number of reflections | 45130 | 28 | 7350 |
| <I/σ(I)> | 33.51 | 108.07 | 1.08 |
| Completeness [%] | 99.6 | 90.3 | 99.2 |
| Redundancy | 37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris-HCl pH 8.5, 25% PEG 3350, 0.2 M Li2SO4 |
