3G60
Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-20 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97942 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.629, 115.090, 374.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 4.400 |
R-factor | 0.314 |
Rwork | 0.314 |
R-free | 0.36500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 4.670 |
High resolution limit [Å] | 4.400 | 4.400 |
Number of reflections | 25576 | |
Completeness [%] | 94.7 | 90.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 278 | 20-23% PEG400, 0.05M TRIS, 0.04% sodium cholate, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K |