7EI3
Crystal structure of MasL, a thiolase from Massilia sp. YMA4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-08-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.786, 76.995, 98.082 |
| Unit cell angles | 79.77, 79.00, 62.98 |
Refinement procedure
| Resolution | 29.900 - 1.780 |
| R-factor | 0.1307 |
| Rwork | 0.128 |
| R-free | 0.18040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n44 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.455 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.045 | 0.233 |
| Number of reflections | 161164 | 14847 |
| <I/σ(I)> | 23.8 | 5 |
| Completeness [%] | 92.3 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 283 | 2% (v/v) Tacsimate pH 7.0, 16% (w/v) polyethylene glycol 3,350, and 0.1 M HEPES, pH 7.5 |
