6UJR
P-glycoprotein mutant-F724A and C952A-with BDE100
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 | PIXEL |
Collection date | 2018-10-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91963 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.397, 138.027, 193.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.810 - 4.100 |
R-factor | 0.2735 |
Rwork | 0.271 |
R-free | 0.29460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xwk without BDE100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.14-3260-000) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 4.490 |
High resolution limit [Å] | 4.100 | 11.490 | 4.100 |
Rmerge | 0.069 | 0.046 | 0.813 |
Rmeas | 0.072 | 0.048 | 0.952 |
Rpim | 0.020 | 0.014 | 0.475 |
Number of reflections | 36639 | 980 | 28 |
<I/σ(I)> | 4 | ||
Completeness [%] | 85.2 | 99.8 | 3.2 |
Redundancy | 12.9 | 11.7 | 2.7 |
CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | Hepes, lithium sulfate, EDTA, polyethylene glycol (PEG) 600 (pH 7.9 to 8.4) |