4QDA
Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.723, 202.605, 91.569 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.930 - 2.299 |
| R-factor | 0.2224 |
| Rwork | 0.220 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.103 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 101.300 |
| High resolution limit [Å] | 2.299 |
| Number of reflections | 40635 |
| Completeness [%] | 97.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 40% PEG200, 0.1 M Sodium Acetate Trihydrate, 8 mM beta-mercaptoethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP |
