8GQH
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 | 2019-05-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 108.337, 128.356, 151.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.070 - 2.200 |
| R-factor | 0.1655 |
| Rwork | 0.164 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ulq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.652 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.101 | 0.069 | 0.281 |
| Rmeas | 0.108 | 0.074 | 0.302 |
| Rpim | 0.038 | 0.027 | 0.109 |
| Total number of observations | 820894 | ||
| Number of reflections | 106966 | 5682 | 5221 |
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 99.3 | 99.1 | 97.7 |
| Redundancy | 7.7 | 7.4 | 7.3 |
| CC(1/2) | 0.994 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% (w/v) PEG 20K 100 mM MES, pH 6.5 |
