5HRM
Crystal structure of phosphotriesterase from Sphingobium sp. TCM1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.100032 |
Spacegroup name | P 1 |
Unit cell lengths | 60.977, 91.273, 96.328 |
Unit cell angles | 78.90, 73.60, 89.86 |
Refinement procedure
Resolution | 28.925 - 2.051 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.20920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Undeposited coords |
RMSD bond length | 0.017 |
RMSD bond angle | 1.370 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX (dev_1108) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.051 | 2.050 |
Rmerge | 0.052 | |
Rmeas | 0.142 | 0.485 |
Rpim | 0.037 | 0.126 |
Total number of observations | 502450 | |
Number of reflections | 118898 | |
<I/σ(I)> | 6.5 | |
Completeness [%] | 97.3 | 95.2 |
Redundancy | 14.8 | |
CC(1/2) | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 291 | 0.04 M citric acid, 0.06 M Bis-Tris propane pH 6.4 and 20% PEG 3350 |