8GQK
Crystal structure of Thiolase from Pseudomonas aeruginosa PAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 146.565, 146.565, 122.876 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.490 - 2.150 |
R-factor | 0.1673 |
Rwork | 0.166 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wyr |
RMSD bond length | 0.013 |
RMSD bond angle | 1.808 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.118 | 0.102 | 0.294 |
Rmeas | 0.126 | 0.110 | 0.326 |
Rpim | 0.045 | 0.039 | 0.136 |
Total number of observations | 482149 | ||
Number of reflections | 80669 | 4331 | 3953 |
<I/σ(I)> | 12.3 | ||
Completeness [%] | 97.2 | 98.8 | 95.9 |
Redundancy | 6 | 7.3 | 4.3 |
CC(1/2) | 0.989 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 35% (v/v) 2-Ethoxyethanol 100 mM Sodium citrate/citric acid, pH 5.5 |