5Z70
Crystal structure of oleate hydratase from Stenotrophomonas sp. KCTC 12332
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.061, 235.252, 176.372 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.827 - 2.910 |
| R-factor | 0.2299 |
| Rwork | 0.227 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uir |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.852 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.257 | 0.107 | 3.151 |
| Rmeas | 0.266 | 0.112 | 3.270 |
| Rpim | 0.071 | 0.033 | 0.869 |
| Total number of observations | 415860 | ||
| Number of reflections | 28812 | 1516 | 1438 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 99.8 | 96.1 | 100 |
| Redundancy | 14.4 | 12.4 | 14 |
| CC(1/2) | 0.988 | 0.519 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | Bis-Tris propane, Potassium thiocyanate, PEG 3350 |
