6SJR

Methyltransferase of the MtgA N227A mutant from Desulfitobacterium hafniense in complex with tetrahydrofolate

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	76.020, 84.010, 86.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.750
R-factor	0.1697
Rwork	0.169
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sj8
RMSD bond length	0.002
RMSD bond angle	1.198
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	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.092	0.564
Number of reflections	55277	8166
<I/σ(I)>	11.2	2.4
Completeness [%]	97.9	95.4
Redundancy	4
CC(1/2)	0.997	0.798

Crystallization Conditions

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