6M82

Crystal structure of TylM1 Y14paF bound to SAH and dTDP-phenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-07-01
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9786
Spacegroup name	I 2 2 2
Unit cell lengths	64.556, 91.574, 93.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.967 - 1.397
R-factor	0.1503
Rwork	0.149
R-free	0.17250
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.430
High resolution limit [Å]	1.397	3.530	1.400
Rmerge	0.038	0.023	0.575
Rmeas	0.039	0.023	0.663
Rpim	0.010	0.006	0.316
Number of reflections	53915	3581	2596
<I/σ(I)>	19.2
Completeness [%]	98.1	98.6	76
Redundancy	13.1	13.6	3.4
CC(1/2)		1.000	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	Precipitant: 23% w/v PEG 3350, 20 mM sodium malonate, 1% v/v 2-propanol, 4.5 mM trimethylamine, 100 mM Hepes pH 7.3 Protein:20 mM sodium malonate pH 7.0, 100 mM sodium chloride, 5 mM AdoMet, 5 mM dTDP-phenol, 12 mg/mL TylM1 Y14paF Protein:Precipitant 4:2uL