4Q9H
P-glycoprotein at 3.4 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.950, 139.180, 186.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.335 - 3.400 |
R-factor | 0.262 |
Rwork | 0.260 |
R-free | 0.29090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.026 |
Data scaling software | SCALA (3.3.20) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.335 | 77.335 | 3.580 |
High resolution limit [Å] | 3.400 | 10.750 | 3.400 |
Rmerge | 0.055 | 0.730 | |
Rmeas | 0.095 | ||
Rpim | 0.044 | 0.032 | 0.383 |
Total number of observations | 150254 | 3487 | 21342 |
Number of reflections | 31984 | ||
<I/σ(I)> | 8.1 | 20.8 | 1.8 |
Completeness [%] | 99.4 | 82.4 | 100 |
Redundancy | 4.7 | 3.8 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277.15 | PEG 600, Li2O4S, HEPES, EDTA, pH 7, vapor diffusion, temperature 277.15K |