4QD7
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-25 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97939 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.652, 202.514, 90.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.869 - 1.765 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.22550 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.159 |
Data reduction software | autoXDS |
Data scaling software | autoXDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.870 |
High resolution limit [Å] | 1.720 |
Number of reflections | 97075 |
Completeness [%] | 97.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 45% PEG400, 0.1M Bis Tris, 10mM beta-mercaptoethanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP |