6B7J
The crystal structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Vibrio cholerae O1 biovar eltor str. N16961
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 | 2010-02-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.520, 85.263, 49.932 |
| Unit cell angles | 90.00, 97.11, 90.00 |
Refinement procedure
| Resolution | 26.250 - 1.440 |
| R-factor | 0.1578 |
| Rwork | 0.156 |
| R-free | 0.19440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mkb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.853 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.250 | 1.480 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.052 | 0.324 |
| Rmeas | 0.061 | 0.381 |
| Rpim | 0.032 | 0.197 |
| Number of reflections | 59933 | 2995 |
| <I/σ(I)> | 36.87 | 5.58 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.8 | 3.6 |
| CC(1/2) | 0.937 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.005 M CaCl2, 0.1 < Bis-Tris, 30% v/v PEG MME 550 |
