3WL5
Crystal structure of pOPH S172C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.537, 65.426, 84.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.600 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.18700 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.870 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | OASIS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.069 | 0.220 |
Number of reflections | 42894 | |
<I/σ(I)> | 35.9 | 5.4 |
Completeness [%] | 99.1 | 94.3 |
Redundancy | 7.5 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.1M tri-sodium citrate, pH 5.6, 27% w/v Polyethylene Glycol 4000, 2% w/v n-Octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 295K |