5GM2

Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1

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	2015-05-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	257.459, 152.757, 154.171
Unit cell angles	90.00, 93.06, 90.00

Refinement procedure

Resolution	153.950 - 2.800
R-factor	0.2086
Rwork	0.207
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.713
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]	153.950	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.072	0.484
Number of reflections	146088
<I/σ(I)>	16.5	3.3
Completeness [%]	99.8	100
Redundancy	4.7	4.8
CC(1/2)	0.999	0.846

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