5F6R
Co-crystal Structure of 3-hydroxydecanoyl-(acyl carrier protein) Dehydratase from Yersinia pestis with 5-Benzoylpentanoic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.982, 54.885, 102.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.654 - 1.179 |
| R-factor | 0.1485 |
| Rwork | 0.148 |
| R-free | 0.16630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q62 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.883 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.200 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.370 | |
| Number of reflections | 98116 | |
| <I/σ(I)> | 24.65 | 2.78 |
| Completeness [%] | 98.7 | 84.1 |
| Redundancy | 6.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.2M sodium chloride; 0.1M Na/K phosphate pH 6.2, 10% PEG 8000 |
