6H40

High resolution structure of MeT1 from Mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979295
Spacegroup name	P 32 2 1
Unit cell lengths	113.134, 113.134, 41.107
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.988 - 1.053
R-factor	0.1087
Rwork	0.108
R-free	0.11970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g7d
RMSD bond length	0.009
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.977	1.071
High resolution limit [Å]	1.053	1.053
Rmerge	0.037
Number of reflections	138507
<I/σ(I)>	17.7
Completeness [%]	99.7
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl pH 8.5, 0.2 M magnesium chloride, 20% (wt/vol) PEG 8000.