4DX7
Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 145.943, 163.285, 245.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.093 - 2.253 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.153 | 49.153 | 2.390 |
High resolution limit [Å] | 2.250 | 6.700 | 2.250 |
Rmerge | 0.095 | 0.030 | 0.984 |
Number of reflections | 274585 | ||
<I/σ(I)> | 14.94 | 48.42 | 1.75 |
Completeness [%] | 99.5 | 98.7 | 97.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.025M ADA, pH 6.5, 0.2M ammonium sulfate, 7.66% PEG 4000, 8.8% glycerol, 0.004M doxorubicin, VAPOR DIFFUSION, HANGING DROP, temperature 290K |