8DYJ

Crystal structure of human methylmalonyl-CoA mutase in complex with ADP and cob(II)alamin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1272
Spacegroup name	C 2 2 21
Unit cell lengths	61.025, 129.358, 188.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.105 - 2.200
R-factor	0.1964
Rwork	0.195
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xiq
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.105	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	37982	3114
<I/σ(I)>	15.8
Completeness [%]	99.2
Redundancy	9
CC(1/2)	0.990	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M lithium sulfate monohydrate, 0.1 M sodium acetate trihydrate, 54% PEG 400