6ZO7
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer
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 | 2015-02-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 144.732, 157.683, 244.044 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.860 - 2.850 |
R-factor | 0.2397 |
Rwork | 0.238 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jmn |
RMSD bond length | 0.002 |
RMSD bond angle | 1.173 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.860 | 48.850 | 2.900 |
High resolution limit [Å] | 2.850 | 15.610 | 2.850 |
Rmerge | 0.297 | 0.040 | 2.146 |
Rmeas | 0.319 | 0.046 | 2.300 |
Rpim | 0.114 | 0.022 | 0.823 |
Number of reflections | 130632 | 894 | 6399 |
<I/σ(I)> | 7 | 0.9 | |
Completeness [%] | 100.0 | 97.1 | 100 |
Redundancy | 7.8 | 6.6 | 7.9 |
CC(1/2) | 0.971 | 0.952 | 0.552 |
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, 0.0012M MINOCYCLINE |