5N5D

Crystal Structure of the O-Methyltransferase TomG from Streptomyces achromogenes involved in Tomaymycin synthesis in complex with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	67.597, 75.877, 86.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.470 - 1.550
R-factor	0.1486
Rwork	0.148
R-free	0.16610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cbg
RMSD bond length	0.004
RMSD bond angle	0.715
Data reduction software	XDS (May 1, 2016)
Data scaling software	XDS (May 1, 2016)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX ((dev_2608: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.470	1.580
High resolution limit [Å]	1.550	1.550
Rmeas	0.079	1.691
Number of reflections	65091
<I/σ(I)>	22.9	1.7
Completeness [%]	99.6	98.7
Redundancy	13.2	13
CC(1/2)	1.000	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	295	2.1 M NH4(SO4)2, 0.1 M Li2SO4, 0.1 M Hepes pH 7.3