6ZO5
Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 146.234, 159.703, 245.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.380 - 2.500 |
R-factor | 0.2274 |
Rwork | 0.226 |
R-free | 0.25230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jmn |
RMSD bond length | 0.002 |
RMSD bond angle | 1.169 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.380 | 49.370 | 2.540 |
High resolution limit [Å] | 2.500 | 13.690 | 2.500 |
Rmerge | 0.173 | 0.042 | 2.075 |
Rmeas | 0.188 | 0.049 | 2.246 |
Rpim | 0.072 | 0.023 | 0.856 |
Number of reflections | 198321 | 1345 | 9733 |
<I/σ(I)> | 9.6 | 1 | |
Completeness [%] | 100.0 | 98.1 | 100 |
Redundancy | 6.7 | 6.1 | 6.8 |
CC(1/2) | 0.972 | 0.956 | 0.405 |
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, 0.001M ERYTHROMYCIN, 0.001M FUSIDIC ACID, 0.001M LINEZOLID, 0.001M OXACILLIN |