7MKU

Crystal Structure of ENOYL COA-HYDRATASE2 from Arabidopsis thaliana

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	2013-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	134.744, 134.744, 127.849
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.897 - 2.648
R-factor	0.151
Rwork	0.150
R-free	0.17460
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.700
High resolution limit [Å]	2.648	7.180	2.650
Rmerge	0.084	0.028	0.825
Rmeas	0.091	0.031	0.899
Rpim	0.035	0.011	0.355
Number of reflections	38368	1971	1900
<I/σ(I)>	7.7
Completeness [%]	100.0	99.7	100
Redundancy	6.8	7.4	6.4
CC(1/2)		0.998	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	15% (v/v) reagent alcohol, 100 mM CHES pH 9.5