5YF2

Crystal structure of CARNMT1 bound to anserine and SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 61 2 2
Unit cell lengths	127.690, 127.690, 320.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.244 - 2.802
R-factor	0.1786
Rwork	0.176
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.967
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.143	0.054	1.036
Rmeas	0.165	0.064	1.191
Rpim	0.081	0.033	0.578
Number of reflections	38194	2047	1867
<I/σ(I)>	8.1
Completeness [%]	98.0	92.2	99.1
Redundancy	3.8	3.5	3.9
CC(1/2)		0.993	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	16% PEG8000, 0.1 M MES, pH 6.0, 0.2 M CaAc