5CBQ
Crystal structure of a T1-like thiolase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.460, 181.470, 271.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 135.870 - 2.450 |
| R-factor | 0.22782 |
| Rwork | 0.226 |
| R-free | 0.26757 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.830 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 135.900 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.520 | |
| Number of reflections | 91315 | |
| <I/σ(I)> | 7.5 | 1.7 |
| Completeness [%] | 89.1 | 84.2 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293 | 20% PEG 3350, 0.15 M calcium chloride dihydrate |
