4Q9L
P-glycoprotein cocrystallised with QZ-Phe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-24 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97958 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.340, 138.420, 184.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.897 - 3.800 |
R-factor | 0.2603 |
Rwork | 0.259 |
R-free | 0.29310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.755 |
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] | 86.340 | 86.340 | 4.010 |
High resolution limit [Å] | 3.800 | 12.020 | 3.800 |
Rmerge | 0.036 | 0.696 | |
Rmeas | 0.066 | ||
Rpim | 0.031 | 0.020 | 0.366 |
Total number of observations | 97970 | 2618 | 14181 |
Number of reflections | 22385 | ||
<I/σ(I)> | 10.9 | 30.6 | 2.2 |
Completeness [%] | 99.4 | 84.1 | 100 |
Redundancy | 4.4 | 3.9 | 4.4 |
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 |