5WCP
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 | 2017-03-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.598, 85.954, 88.443 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.481 - 1.500 |
R-factor | 0.1526 |
Rwork | 0.151 |
R-free | 0.17470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cpc |
RMSD bond length | 0.020 |
RMSD bond angle | 1.591 |
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] | 29.481 |
High resolution limit [Å] | 1.500 |
Number of reflections | 104698 |
<I/σ(I)> | 18.62 |
Completeness [%] | 99.8 |
Redundancy | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 100 mM NaCacodylate, 10% 2-methane-2,4-pentanediol |