5GM1

Crystal structure of methyltransferase TleD complexed with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97908
Spacegroup name	C 1 2 1
Unit cell lengths	259.621, 152.902, 154.793
Unit cell angles	90.00, 93.33, 90.00

Refinement procedure

Resolution	102.265 - 2.501
R-factor	0.2095
Rwork	0.207
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.592
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	154.530	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.080
Number of reflections	205755
<I/σ(I)>	14.5
Completeness [%]	99.0	96.3
Redundancy	5.4
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	100 mM Tris-HCl, 18% PEG400, 14% PEG3350, 100 mM MgCl2, 2mM TCEP