4U96
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 145.790, 160.770, 246.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.901 - 2.200 |
R-factor | 0.1983 |
Rwork | 0.196 |
R-free | 0.24590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dx5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.3) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.900 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 2.726 | |
Number of reflections | 290078 | |
<I/σ(I)> | 7.74 | 0.8 |
Completeness [%] | 99.3 | 94.9 |
Redundancy | 8.5 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 9% PEG4000, 7.3% Glycerol |