6SJN

Methyltransferase MtgA from Desulfitobacterium hafniense in complex with methyl-tetrahydrofolate (P212121)

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	2018-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	75.910, 83.790, 86.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.750
R-factor	0.1387
Rwork	0.137
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sj8
RMSD bond length	0.007
RMSD bond angle	1.159
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.062	0.515
Number of reflections	55629	8498
<I/σ(I)>	13.9	2.7
Completeness [%]	98.7	99.4
Redundancy	4.1
CC(1/2)	0.999	0.834

Crystallization Conditions

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