6Q4O
Fusidic acid bound AcrB_I27A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 145.203, 162.571, 243.459 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.520 - 2.800 |
R-factor | 0.21397 |
Rwork | 0.212 |
R-free | 0.25557 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jmn |
RMSD bond length | 0.002 |
RMSD bond angle | 1.186 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.400 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.193 | 1.363 |
Number of reflections | 140232 | |
<I/σ(I)> | 8.2 | |
Completeness [%] | 99.1 | |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 291 | 0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000 |