6H9E

Structure of glutamate mutase reconstituted with homo-coenzyme B12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-05
Detector	MARRESEARCH
Wavelength(s)	0.8428
Spacegroup name	P 1 21 1
Unit cell lengths	63.890, 112.620, 108.350
Unit cell angles	90.00, 95.69, 90.00

Refinement procedure

Resolution	40.410 - 1.820
R-factor	0.1384
Rwork	0.137
R-free	0.16750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ccw
RMSD bond length	0.007
RMSD bond angle	0.844
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.410	1.890
High resolution limit [Å]	1.820	1.820
Rmerge	0.052	0.299
Rmeas	0.064	0.366
Rpim	0.035	0.207
Number of reflections	130639	12636
<I/σ(I)>	19.5	4.5
Completeness [%]	96.1	93.7
Redundancy	3	2.8
CC(1/2)	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	6% (w/v) PEG-4000, 0.1 M DL-tartrate, pH=4.5, 2 mM CdCl2