2I2X

Crystal structure of methanol:cobalamin methyltransferase complex MtaBC from Methanosarcina barkeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393
Spacegroup name	P 1 21 1
Unit cell lengths	101.750, 172.850, 190.540
Unit cell angles	90.00, 98.86, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.18426
Rwork	0.182
R-free	0.23146
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.385
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.133	0.445
Number of reflections	218403
<I/σ(I)>	9.4	3.1
Completeness [%]	95.3	89.3
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M sodium acetate, 0.05 M ammonium sulphate, 17% polyethyleneglycol, 15% glycerole, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M sodium acetate, 0.05 M ammonium sulphate, 17% polyethyleneglycol, 15% glycerole, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M sodium acetate, 0.05 M ammonium sulphate, 17% polyethyleneglycol, 15% glycerole, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K