3SBY

Crystal Structure of SeMet-Substituted Apo-MMACHC (1-244), a human B12 processing enzyme

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97954
Spacegroup name	P 65
Unit cell lengths	69.267, 69.267, 201.848
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.990 - 2.710
R-factor	0.2314
Rwork	0.228
R-free	0.29030
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.990	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.133	0.099	0.473
Number of reflections	14979
<I/σ(I)>	13.7
Completeness [%]	100.0	99.7	100
Redundancy	7.7	7.6	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	0.96 M sodium malonate, 10% Jeffamine 600 pH 7.0, 0.1 M Hepes 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277K