7P98

Cyclohex-1-ene-1-carboxyl-CoA dehydrogenase in a substrate-free state

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	2014-08-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	F 2 2 2
Unit cell lengths	76.320, 172.200, 331.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.441 - 2.000
R-factor	0.2156
Rwork	0.214
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lif
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.441	45.441	2.100
High resolution limit [Å]	2.000	12.000	2.000
Rmerge	0.152	0.025	1.356
Rmeas	0.167	0.027	1.491
Total number of observations	433654
Number of reflections	73530	390	9910
<I/σ(I)>	12.17	47.99	1.99
Completeness [%]	99.9	97.3	99.8
Redundancy	5.898	4.974	5.825
CC(1/2)	0.997	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG3350, 0.2 M sodium tatrate