7WUZ

Structural study of the complex of cblC methylmalonic aciduria and homocysteinuria-related protein MMACHC with cyanocobalamin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	72.968, 96.327, 47.257
Unit cell angles	90.00, 111.06, 90.00

Refinement procedure

Resolution	33.370 - 1.930
R-factor	0.1672
Rwork	0.165
R-free	0.20720
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.600	55.600	2.030
High resolution limit [Å]	1.930	6.100	1.930
Rmerge	0.092	0.043	0.565
Rmeas	0.102	0.048	0.625
Rpim	0.044	0.020	0.265
Total number of observations	114741	3586	17133
Number of reflections	22121	740	3213
<I/σ(I)>	11.8	27.2	3.2
Completeness [%]	96.4	99	96.9
Redundancy	5.2	4.8	5.3
CC(1/2)	0.998	0.998	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% PEG 2000MME, 0.1M Bis-Tris pH 6.5, 0.2 M Lithium sulfate