5XYJ
Purification,crystallization and structural analysis of cytoplastic acetoacetyl-CoA thiolase from Saccharomyces cerevisiae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97778 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.804, 89.250, 119.189 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.530 - 1.930 |
| R-factor | 0.15655 |
| Rwork | 0.156 |
| R-free | 0.17181 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ib7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.252 |
| Data reduction software | HKL-3000 (v715) |
| Data scaling software | HKL-2000 (v715) |
| Phasing software | MOLREP (v7.0) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.100 | 0.515 |
| Rpim | 0.034 | 0.183 |
| Number of reflections | 62459 | 3038 |
| <I/σ(I)> | 18.7 | 5.1 |
| Completeness [%] | 98.8 | 98.1 |
| Redundancy | 8.8 | 8.3 |
| CC(1/2) | 0.946 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 287 | 0.2M ammonium citrate (pH 6.5), polyethylene glycol 3350 (19%) |
