5BYU
Crystal structure of unnamed thioesterase Ipg2867 from Legionella pneumophila
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 | 2013-03-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.140, 99.630, 112.142 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 34.998 - 2.400 |
| R-factor | 0.2314 |
| Rwork | 0.229 |
| R-free | 0.24560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qy3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.190 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2034: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.206 |
| Number of reflections | 40946 | |
| <I/σ(I)> | 8.7 | 4.5 |
| Completeness [%] | 96.9 | 95.8 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 296 | 40 mM citric acid, 30 mM bis-tris propane, 14% PEG 3350 and 10% glycerol |
