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 |
