6ZOH
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 145.143, 160.129, 243.588 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.190 - 2.800 |
| R-factor | 0.2241 |
| Rwork | 0.223 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jmn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.174 |
| 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] | 49.190 | 49.190 | 2.850 |
| High resolution limit [Å] | 2.800 | 15.340 | 2.800 |
| Rmerge | 0.208 | 0.053 | 2.110 |
| Rmeas | 0.227 | 0.060 | 2.300 |
| Rpim | 0.090 | 0.028 | 0.907 |
| Total number of observations | 877116 | ||
| Number of reflections | 139909 | 942 | 6887 |
| <I/σ(I)> | 7.6 | 1 | |
| Completeness [%] | 100.0 | 97.1 | 100 |
| Redundancy | 6.3 | 5.4 | 6.3 |
| CC(1/2) | 0.992 | 0.992 | 0.373 |
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 RIFAMPICIN QUINONE |
