8GQL
X-ray 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 | 2021-12-01 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.098, 93.751, 111.526 |
| Unit cell angles | 90.00, 108.29, 90.00 |
Refinement procedure
| Resolution | 34.470 - 2.300 |
| R-factor | 0.1944 |
| Rwork | 0.191 |
| R-free | 0.26510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n44 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.747 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.179 | 0.094 | 0.432 |
| Rmeas | 0.215 | 0.113 | 0.521 |
| Rpim | 0.119 | 0.061 | 0.288 |
| Total number of observations | 190736 | ||
| Number of reflections | 63474 | 3219 | 3166 |
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 98.4 | 96.8 | 98.5 |
| Redundancy | 3 | 3.1 | 3 |
| CC(1/2) | 0.973 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% (w/v) PEG 3350 200 mM Magnesium acetate tetrahydrate |
