8GQI
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 | I 41 |
| Unit cell lengths | 177.372, 177.372, 70.588 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.390 - 2.210 |
| R-factor | 0.1762 |
| Rwork | 0.174 |
| R-free | 0.21410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ulq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.714 |
| 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 | 0.112 | 0.102 | 0.301 |
| Rmeas | 0.129 | 0.119 | 0.352 |
| Rpim | 0.064 | 0.059 | 0.180 |
| Total number of observations | 212439 | ||
| Number of reflections | 54894 | 2697 | 2724 |
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 99.4 | 93.9 | 99.7 |
| Redundancy | 3.9 | 3.8 | 3.6 |
| CC(1/2) | 0.961 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 40% (v/v) 1,2-Propanediol 100 mM Sodium citrate/citric acid, pH 5.5 5% (w/v) PEG 1K |
