1Q85

Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+ complex, Se-Met)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Detector technology	CCD
Collection date	2003-03-12
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	60.300, 86.170, 125.880
Unit cell angles	90.00, 100.39, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.268
Rwork	0.243
R-free	0.28000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.288 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.058 *	0.209 *
Number of reflections	87460 *
Completeness [%]	99.0 *	99.3 *
Redundancy	7.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	4 *	propylene glycol, glycerol, PEG 8000, citrate, 1,2,3-heptanetriol, cadmium, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		10 (mM)
2	1	drop	1,2,3-heptanetriol	1.25 (%(w/v))
3	1	reservoir	1,2-propanediol	25 (%)
4	1	reservoir	glycerol	10 (%)
5	1	reservoir	PEG3000	5 (%)
6	1	reservoir	sodium citrate	100 (mM)	pH5.30