6X8Z

Crystal structure of N-truncated human B12 chaperone CblD(C262S)-thiolato-cob(III)alamin complex (108-296)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	103.222, 69.776, 64.266
Unit cell angles	90.00, 101.15, 90.00

Refinement procedure

Resolution	50.637 - 2.500
R-factor	0.2509
Rwork	0.249
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cv0
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]	50.637	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.107	1.213
Number of reflections	15518	1736
<I/σ(I)>	7.6
Completeness [%]	99.4
Redundancy	4.1
CC(1/2)	0.993	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG8000, 100 mM Tris-HCl, pH 8.5, 200 mM magnesium chloride