4RYI
Crystal structure of BcTSPO/PK11195 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-21 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.666, 54.550, 58.560 |
Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
Resolution | 35.120 - 3.490 |
R-factor | 0.2397 |
Rwork | 0.236 |
R-free | 0.31370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.898 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CaspR |
Refinement software | PHENIX ((phenix.refine: 1.9_1690)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.560 |
High resolution limit [Å] | 3.490 | 3.500 |
Rmerge | 0.176 | |
Number of reflections | 4245 | |
<I/σ(I)> | 4.35 | |
Completeness [%] | 96.2 | 88.6 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 293 | 3% PEG 4000, 0.066 sodium chloride, 0.02 Tris,pH 7.5 as crystallization buffer, covered the drop of a mix of (10mg/mL protein and saturated PK11195 in 8% DMSO):monoolein in a ratio of 2/3 (v/v), LCP, temperature 293K |