5T06
Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with Hexanoyl-CoA
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 | 2016-06-14 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.747, 96.772, 97.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.782 - 1.898 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s5u |
RMSD bond length | 0.007 |
RMSD bond angle | 1.104 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.782 | 30.000 | 1.930 |
High resolution limit [Å] | 1.898 | 5.150 | 1.900 |
Rmerge | 0.077 | 0.056 | 0.615 |
Number of reflections | 48124 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 99.3 | 99.4 | 98.8 |
Redundancy | 6.2 | 5.6 | 6.2 |
CC(1/2) | 0.996 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 20% PEG3350, 0.2M Ammonium Citrate, 10mM HexanoilcoA |