5DIO
Crystal structure of unnamed thioesterase lpg2867 from Legionella pneumophila, the D21A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 49.880, 115.741, 58.350 |
| Unit cell angles | 90.00, 115.05, 90.00 |
Refinement procedure
| Resolution | 57.870 - 2.600 |
| R-factor | 0.25069 |
| Rwork | 0.249 |
| R-free | 0.28633 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5byu |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.870 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.074 | 0.273 |
| Number of reflections | 9199 | |
| <I/σ(I)> | 9 | 2.3 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 100 mM HEPES, 10% 2-propanol, 19% PEG 4000 |
