7V6L

LcCOMT in complex with SAH

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	46.393, 60.169, 129.901
Unit cell angles	90.00, 95.26, 90.00

Refinement procedure

Resolution	44.053 - 1.948
R-factor	0.1943
Rwork	0.192
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3reo
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.948	1.948
Rmeas	0.129
Number of reflections	51456	3108
<I/σ(I)>	14
Completeness [%]	98.7
Redundancy	6.6
CC(1/2)		0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3350