3Q62
Crystal Structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.433, 50.668, 132.384 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.185 - 1.400 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mkb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.063 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 57207 | |
| <I/σ(I)> | 8.4 | 2.1 |
| Completeness [%] | 99.8 | 97.8 |
| Redundancy | 6.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.1M MES pH 6.0, 1.0M K/Na Tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
