3SBZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2009-12-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97980
Spacegroup name	P 62 2 2
Unit cell lengths	112.448, 112.448, 112.136
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.691 - 2.000
R-factor	0.1909
Rwork	0.189
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sby
RMSD bond length	0.008
RMSD bond angle	1.192
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.066	0.039	0.502
Number of reflections	27786
<I/σ(I)>	21.52
Completeness [%]	99.9	99.3	100
Redundancy	11.4	11.1	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	0.9 M sodium malonate, 5% Jeffamine 600 pH 7.0, 0.1 M Hepes 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277K