6ZOA
Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer
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 | 145.596, 162.993, 246.377 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.680 - 3.050 |
| R-factor | 0.2418 |
| Rwork | 0.240 |
| R-free | 0.27150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jmn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.175 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.680 | 49.680 | 3.100 |
| High resolution limit [Å] | 3.050 | 16.710 | 3.050 |
| Rmerge | 0.289 | 0.063 | 2.249 |
| Rmeas | 0.319 | 0.075 | 2.488 |
| Rpim | 0.133 | 0.039 | 1.050 |
| Total number of observations | 613744 | ||
| Number of reflections | 111779 | 746 | 5449 |
| <I/σ(I)> | 5.8 | 1 | |
| Completeness [%] | 99.8 | 95.6 | 99.9 |
| Redundancy | 5.5 | 4.7 | 5.3 |
| CC(1/2) | 0.966 | 0.956 | 0.344 |
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 DICLOXACILLIN, 0.001M OXACILLIN, 0.001M PIPERACILLIN |
