8GQM
Crystal structure of Thiolase complexed with acetyl coenzyme A
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 | 2022-05-04 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.986, 90.970, 98.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.960 - 1.450 |
| R-factor | 0.1537 |
| Rwork | 0.152 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ulq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.889 |
| 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 | 1.480 |
| High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
| Rmerge | 0.072 | 0.041 | 0.476 |
| Rmeas | 0.078 | 0.044 | 0.514 |
| Rpim | 0.029 | 0.017 | 0.190 |
| Total number of observations | 475648 | ||
| Number of reflections | 65560 | 3474 | 3258 |
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 7.3 | 6.7 | 7.2 |
| CC(1/2) | 0.998 | 0.919 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% (v/v) 1,4-butanediol 100 mM Sodium acetate, pH 5.5 15mM Acetyl-CoA |
