6ZOG
Minocycline binding to the deep binding pocket of AcrB-I38F_I671T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 145.965, 161.954, 245.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.590 - 2.750 |
| R-factor | 0.2322 |
| Rwork | 0.230 |
| R-free | 0.26820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jmn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.171 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.590 | 49.590 | 2.800 |
| High resolution limit [Å] | 2.750 | 15.060 | 2.750 |
| Rmerge | 0.191 | 0.041 | 2.068 |
| Rmeas | 0.205 | 0.048 | 2.219 |
| Rpim | 0.074 | 0.023 | 0.797 |
| Total number of observations | 1141557 | ||
| Number of reflections | 151127 | 1027 | 7413 |
| <I/σ(I)> | 9.8 | 1.2 | |
| Completeness [%] | 100.0 | 97.5 | 100 |
| Redundancy | 7.6 | 6.5 | 7.7 |
| CC(1/2) | 0.990 | 0.989 | 0.496 |
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, 0.002M MINOCYCLINE |
