8DYL

Crystal structure of human methylmalonyl-CoA mutase bound to aquocobalamin

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	2021-10-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1272
Spacegroup name	C 2 2 21
Unit cell lengths	59.377, 136.070, 196.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.763 - 1.900
R-factor	0.1763
Rwork	0.174
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xij
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]	41.800	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	61448	3258
<I/σ(I)>	16.7
Completeness [%]	98.4
Redundancy	8.3
CC(1/2)	1.000	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium sulfate, 0.1 M BIS-TRIS, pH 5.5, 16% PEG 3350