4UIR
Structure of oleate hydratase from Elizabethkingia meningoseptica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.174, 143.930, 155.785 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.846 - 2.750 |
R-factor | 0.1975 |
Rwork | 0.195 |
R-free | 0.24950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ia5 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.962 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.800 | 2.920 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.240 | 0.980 |
Number of reflections | 49549 | |
<I/σ(I)> | 5.7 | 1.3 |
Completeness [%] | 99.1 | 98.1 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 23.5MG/ML 10% W/V PEG 20,000; 20% V/V PEG MME 550, 0.03 M OF EACH HALIDE (0.3 M SODIUM FLUORIDE, 0.3 M SODIUM BROMIDE, 0.3 M SODIUM IODIDE) AND 0.1 M MOPS/HEPES-NA PH 7.5 (CONDITION B5, MORPHEUS SCREEN, MOLECULAR DIMENSIONS) |