6QH4

Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	53.162, 66.990, 77.125
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	77.125 - 1.922
R-factor	0.2302
Rwork	0.228
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rmu
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.130	2.120
High resolution limit [Å]	1.920	1.920
Number of reflections	19630	983
<I/σ(I)>	7.2	1.2
Completeness [%]	48.5	10.4
Redundancy	3.3	2.7
CC(1/2)	0.997	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% PEG4000, 10% 2-propanol and 0.1M HEPES pH 7.5