4Q9K
P-glycoprotein cocrystallised with QZ-Leu
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 | 2012-07-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.240, 138.600, 195.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.550 - 3.800 |
R-factor | 0.293 |
Rwork | 0.292 |
R-free | 0.32100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.758 |
Data scaling software | SCALA (3.3.21) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 113.055 | 113.055 | 4.010 |
High resolution limit [Å] | 3.800 | 12.020 | 3.800 |
Rmerge | 0.037 | 0.730 | |
Rmeas | 0.063 | ||
Rpim | 0.035 | 0.027 | 0.464 |
Total number of observations | 73344 | 2265 | 10992 |
Number of reflections | 23166 | ||
<I/σ(I)> | 9.8 | 27.7 | 1.7 |
Completeness [%] | 92.4 | 84.9 | 95.8 |
Redundancy | 3.2 | 3 | 3.2 |
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 |