4RYR
Crystal structure of BcTSPO, type 2 at 1.7 Angstrom with DMSO
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 | 2014-05-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.906, 54.658, 107.579 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.338 - 1.704 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rym |
RMSD bond length | 0.011 |
RMSD bond angle | 1.405 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1690)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 18066 | |
Completeness [%] | 91.7 | 59.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LCP | 5.5 | 293 | crystals grew from 0.2 M ammonium sulfate, 0.1 M BIS-TRIS pH 5.5, 25% w/v polyethylene glycol 3,350 in LCP, temperature 293K |