8AD3
X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A
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 | 2011-07-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.540, 89.490, 89.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.980 - 1.550 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.20370 |
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] | 47.980 | 47.980 | 1.650 |
High resolution limit [Å] | 1.550 | 12.000 | 1.550 |
Rmerge | 0.077 | 0.035 | 1.610 |
Rmeas | 0.083 | 0.038 | 1.729 |
Total number of observations | 661586 | ||
Number of reflections | 86118 | 229 | 14385 |
<I/σ(I)> | 12.87 | 42.36 | 1.3 |
Completeness [%] | 99.7 | 98.7 | 98.8 |
Redundancy | 7.682 | 6.437 | 7.535 |
CC(1/2) | 0.999 | 0.998 | 0.593 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 0.1 M citrate, 0.2 M MgAcetate, 22-27% PEG5000MME |