5HD6
High resolution structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Yersinia pestis at 1.35 A
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 1 |
| Unit cell lengths | 42.665, 50.816, 138.780 |
| Unit cell angles | 90.02, 90.02, 90.10 |
Refinement procedure
| Resolution | 26.915 - 1.350 |
| R-factor | 0.1378 |
| Rwork | 0.136 |
| R-free | 0.17030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q62 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.877 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 3.660 | 1.350 |
| Rmerge | 0.042 | 0.023 | 0.219 |
| Rmeas | 0.057 | 0.031 | 0.298 |
| Rpim | 0.038 | 0.021 | 0.201 |
| Total number of observations | 521903 | ||
| Number of reflections | 241931 | ||
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 94.6 | 97.3 | 75.2 |
| Redundancy | 2.2 | 2.2 | 1.9 |
| CC(1/2) | 0.997 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 297 | 0.16 M magnesium chloride, 0.08 M Tris-HCl, 24 % PEG 4000, 20 % glycerol |
