3BOL

Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima complexed with Zn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Detector technology	CCD
Collection date	2007-04-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	59.626, 85.841, 125.587
Unit cell angles	90.00, 100.67, 90.00

Refinement procedure

Resolution	47.620 - 1.850
R-factor	0.195
Rwork	0.193
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.530
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.057	0.267
Number of reflections	106165	16806
<I/σ(I)>	21.65	5.6
Completeness [%]	100.0	100
Redundancy	7.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	25% 1,2-propanediol, 10% glycerol, 5% PEG 3000, 100 mM potasium citrate pH 4.8, 1.5% 1,2,3-heptanetriol, 10 mM YCl3. Soaking with 20% 1,2-propanediol, 10% glycerol, 5% PEG 3000, 100 mM TRIS pH 7, and 1.5% 1,2,3-heptanetriol, VAPOR DIFFUSION, HANGING DROP, temperature 277K