5V10
Crystal structure of the putative tol-pal system-associated acyl-CoA thioesterase from Pseudomonas aeruginosa PAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 97.994, 62.279, 52.792 |
Unit cell angles | 90.00, 112.52, 90.00 |
Refinement procedure
Resolution | 51.310 - 1.900 |
R-factor | 0.22315 |
Rwork | 0.220 |
R-free | 0.28308 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s5u |
RMSD bond length | 0.015 |
RMSD bond angle | 1.649 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.310 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.101 | 0.468 |
Rpim | 0.049 | 0.305 |
Number of reflections | 21234 | 659 |
<I/σ(I)> | 13.9 | 2.1 |
Completeness [%] | 91.5 | 57.5 |
Redundancy | 4 | 2.4 |
CC(1/2) | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M Succinic Acid pH 7.0, 15 % PEG3350 |