6UJP
P-glycoprotein mutant-F979A 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 | 2019-03-31 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91959 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.046, 138.133, 188.246 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.590 - 3.980 |
R-factor | 0.2412 |
Rwork | 0.239 |
R-free | 0.26280 |
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) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 4.050 |
High resolution limit [Å] | 3.980 | 10.770 | 3.980 |
Rmerge | 0.090 | 0.053 | 1.287 |
Rmeas | 0.095 | 0.055 | 1.368 |
Rpim | 0.027 | 0.016 | 0.453 |
Number of reflections | 38315 | 1139 | 999 |
<I/σ(I)> | 3.7 | ||
Completeness [%] | 100.0 | 100 | 99.7 |
Redundancy | 11.9 | 11.7 | 8.4 |
CC(1/2) | 0.999 | 0.667 |
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) |