4WYS
Crystal structure of thiolase from Escherichia coli
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 | 2009-11-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.23985 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.007, 85.151, 269.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.1716 |
| Rwork | 0.169 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlv |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.789 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.306 |
| Number of reflections | 102062 | |
| <I/σ(I)> | 21.6 | 3.9 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 6.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | PEG 400, Acetate, Calcium acetate |
