6UJT
P-glycoprotein mutant-Y303A 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 | 91.123, 138.648, 195.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.940 - 4.170 |
R-factor | 0.2536 |
Rwork | 0.251 |
R-free | 0.27780 |
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 | 4.240 |
High resolution limit [Å] | 4.170 | 11.280 | 4.170 |
Rmerge | 0.062 | 0.036 | 1.226 |
Rmeas | 0.065 | 0.039 | 1.300 |
Rpim | 0.021 | 0.014 | 0.428 |
Number of reflections | 35554 | 1052 | 911 |
<I/σ(I)> | 4.3 | ||
Completeness [%] | 100.0 | 100 | 99.9 |
Redundancy | 9.6 | 8.6 | 9 |
CC(1/2) | 0.998 | 0.669 |
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) |