8GQG
Crystal structure of Thioloase 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 | 2019-04-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.223, 204.782, 262.127 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.650 - 1.800 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iik |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.684 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.068 | 0.048 | 0.317 |
| Rmeas | 0.072 | 0.051 | 0.369 |
| Rpim | 0.024 | 0.016 | 0.182 |
| Total number of observations | 1764971 | ||
| Number of reflections | 277429 | 14616 | 13074 |
| <I/σ(I)> | 13.6 | ||
| Completeness [%] | 95.1 | 96.4 | 90.2 |
| Redundancy | 6.4 | 10.2 | 3.2 |
| CC(1/2) | 0.998 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 40% (v/v) PEG 600 100 mM Sodium phosphate dibasic/citric acid, pH 4.2 |
