5BUX
Crystal Structure of 3-hydroxyacyl-ACP dehydratase (FabZ) from Yersinia pestis with glycerol bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.07 |
| Spacegroup name | P 63 |
| Unit cell lengths | 104.760, 104.760, 87.961 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.610 - 1.900 |
| R-factor | 0.15691 |
| Rwork | 0.155 |
| R-free | 0.18534 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zhg |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.364 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.078 |
| Number of reflections | 42366 | |
| <I/σ(I)> | 30.3 | 2 |
| Completeness [%] | 97.8 | 84.5 |
| Redundancy | 7.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8% Tacsimate, pH 8.0, 400 mM sodium thiocyanate, 20% PEG3350 |
