7V6J

LcCOMT in complex with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97774
Spacegroup name	P 1 21 1
Unit cell lengths	46.960, 60.124, 132.192
Unit cell angles	90.00, 96.07, 90.00

Refinement procedure

Resolution	46.697 - 1.799
R-factor	0.1713
Rwork	0.171
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3reo
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.799	1.799
Rmeas	0.134
Number of reflections	68127	4475
<I/σ(I)>	16
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)		0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 6.5, 25% Polyethylene glycol 3350, 20% Glycerol