7P9X

Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1-ene-1-carboxyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	172.910, 333.850, 76.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.250 - 1.650
R-factor	0.223
Rwork	0.222
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p98
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.250	48.250	1.750
High resolution limit [Å]	1.650	12.000	1.650
Rmerge	0.064	0.016	0.772
Rmeas	0.069	0.017	0.852
Total number of observations	1734324
Number of reflections	245150	785	27616
<I/σ(I)>	20.57	57.02	2.32
Completeness [%]	93.0	97.4	65.2
Redundancy	7.075	6.645	5.509
CC(1/2)	0.999	1.000	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25% PEG6000, 0.3 M sodium potassium tartrate