6ZO9
Binding of two rifabutins to the access pocket of AcrB-G621P T 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 | 2016-12-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 147.165, 160.519, 244.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.050 - 2.700 |
| R-factor | 0.2428 |
| Rwork | 0.241 |
| R-free | 0.27350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jmn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.050 | 49.050 | 2.750 |
| High resolution limit [Å] | 2.700 | 14.790 | 2.700 |
| Rmerge | 0.236 | 0.041 | 2.132 |
| Rmeas | 0.252 | 0.045 | 2.277 |
| Rpim | 0.089 | 0.017 | 0.793 |
| Total number of observations | 1225150 | ||
| Number of reflections | 158692 | 1074 | 7775 |
| <I/σ(I)> | 6.9 | 1.1 | |
| Completeness [%] | 100.0 | 97.4 | 99.9 |
| Redundancy | 7.7 | 7 | 7.9 |
| CC(1/2) | 0.996 | 0.999 | 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, 0.003M RIFABUTIN |
