5BYV
Crystal structure of MSM-13, a putative 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 | IMAGE PLATE |
| Collection date | 2014-07-08 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 61 |
| Unit cell lengths | 190.959, 190.959, 264.681 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.193 - 2.162 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zec |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.222 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.193 |
| High resolution limit [Å] | 2.160 |
| Number of reflections | 290242 |
| <I/σ(I)> | 12.2 |
| Completeness [%] | 99.9 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 293 | 45% PEG 200, 0.1M MES monohydrate pH 6.0, 0.07M calcium chloride dihydrate |
