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