5UOS

Crystal Structure of CblC (MMACHC) (1-238), a human B12 processing enzyme, complexed with an Antivitamin B12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03318
Spacegroup name	P 61 2 2
Unit cell lengths	114.432, 114.432, 150.631
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	99.100 - 2.510
R-factor	0.17832
Rwork	0.176
R-free	0.21384
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sc0
RMSD bond length	0.013
RMSD bond angle	1.178
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.100	2.620
High resolution limit [Å]	2.510	2.510
Rmerge	0.094	0.691
Rpim	0.027	0.198
Number of reflections	17391	1967
<I/σ(I)>	21.2	3.8
Completeness [%]	86.3	87.8
Redundancy	12.3	11.7
CC(1/2)	0.998	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	0.2 M NaCl, 0.1 M CHES:NaOH pH 9.5, 1.26 M (NH4)2SO4