5WMS
Phosphotriesterase variant S7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.658, 86.125, 176.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.062 - 1.600 |
R-factor | 0.265 |
Rwork | 0.264 |
R-free | 0.29250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cpc |
RMSD bond length | 0.017 |
RMSD bond angle | 0.889 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 43.062 |
High resolution limit [Å] | 1.500 |
Number of reflections | 208968 |
<I/σ(I)> | 17 |
Completeness [%] | 100.0 |
Redundancy | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 100 mM NaCacodylate, 10% 2-methane-2,4-pentanediol |