6NA4

Co crystal structure of ECR with Butryl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	277
Detector technology	PIXEL
Collection date	2017-07-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	109.342, 78.829, 138.786
Unit cell angles	90.00, 108.06, 90.00

Refinement procedure

Resolution	39.415 - 1.722
R-factor	0.1701
Rwork	0.170
R-free	0.19790
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.415	39.415	1.830
High resolution limit [Å]	1.720	5.130	1.720
Rmerge	0.084	0.027	0.869
Rmeas	0.091	0.029	0.952
Number of reflections	446804	9170	31082
<I/σ(I)>	15.55	51.4	1.64
Completeness [%]	96.1	98.7	81.4
Redundancy	6.676	6.75	5.946
CC(1/2)	0.999	1.000	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	MIDAS Screen