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)