6ZO6
Minocycline binding to the deep binding pocket of AcrB-G619P
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 PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 146.281, 161.008, 245.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.360 - 2.350 |
| R-factor | 0.2324 |
| Rwork | 0.231 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jmn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.360 | 49.360 | 2.390 |
| High resolution limit [Å] | 2.350 | 12.870 | 2.350 |
| Rmerge | 0.163 | 0.038 | 1.968 |
| Rmeas | 0.181 | 0.044 | 2.177 |
| Rpim | 0.077 | 0.022 | 0.923 |
| Total number of observations | 1295940 | ||
| Number of reflections | 240294 | 1624 | 11808 |
| <I/σ(I)> | 8.6 | 1 | |
| Completeness [%] | 100.0 | 98.4 | 99.9 |
| Redundancy | 5.4 | 5 | 5.5 |
| CC(1/2) | 0.994 | 0.994 | 0.408 |
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, 0.0012M MINOCYCLINE |
