6SJK

Methyltransferase MtgA from Desulfitobacterium hafniense

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	76.110, 84.060, 86.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.1747
Rwork	0.173
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sj8
RMSD bond length	0.002
RMSD bond angle	1.196
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.085	0.574
Number of reflections	46728	6903
<I/σ(I)>	9.4	2.3
Completeness [%]	99.9
Redundancy	4.2
CC(1/2)	0.997	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES, 27% PEG 3350