1XR2

Crystal Structure of oxidized T. maritima Cobalamin-Independent Methionine Synthase complexed with Methyltetrahydrofolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	164.058, 159.011, 64.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.350
R-factor	0.207
Rwork	0.207
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	22.800 *
Data scaling software	XDS
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.950	2.540
High resolution limit [Å]	2.350	2.350
Number of reflections	69289
<I/σ(I)>	11.54	4.5
Completeness [%]	97.5	98.4
Redundancy	4.84	4.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	4.6 *	295	PEG 4000, SODIUM ACETATE, AMMONIUM SULFATE, pH 5.2, VAPOR BATCH, UNDER OIL, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	20 (mg/ml)
2	1	1	PEG4000	25 (%)
3	1	1	ammonium sulfate	0.2 (M)
4	1	1	sodium acetate	0.1 (M)	pH4.6
5	1	2	PEG4000	12 (%)
6	1	2	ammonium sulfate	0.2 (M)
7	1	2	sodium acetate	0.1 (M)	pH4.6