6IJK

Enoyl-CoA hydratase/isomerase family protein from Cupriavidus necator H16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 3
Unit cell lengths	132.941, 132.941, 44.164
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.060 - 2.000
R-factor	0.204
Rwork	0.203
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zai
RMSD bond length	0.011
RMSD bond angle	1.720
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge		0.320
Number of reflections	57392
<I/σ(I)>	41.4	8.5
Completeness [%]	99.3
Redundancy	4.1
CC(1/2)		0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	PEG 550 MME, NaCl, Bicine