6OWE

Enoyl-CoA carboxylases/reductases in complex with ethylmalonyl CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	109.100, 78.700, 138.900
Unit cell angles	90.00, 108.10, 90.00

Refinement procedure

Resolution	29.894 - 1.720
R-factor	0.1573
Rwork	0.157
R-free	0.17040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.234
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.780
High resolution limit [Å]	1.720	1.720
Number of reflections	230524	24347
<I/σ(I)>	4.7
Completeness [%]	97.2
Redundancy	3.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8	294	100 mM TRIS pH 8.0 and 20% w/v poly (acrylic acid sodium salt) 5100