5YF0

Crystal structure of CARNMT1 bound to SAM

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	127.769, 127.769, 324.957
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.559 - 2.250
R-factor	0.1727
Rwork	0.171
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.855
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	2.290
High resolution limit [Å]	2.246	6.100	2.250
Rmerge	0.120	0.048	0.790
Rmeas	0.143	0.058	0.933
Rpim	0.076	0.031	0.492
Number of reflections	74980	4035	3698
<I/σ(I)>	8.4
Completeness [%]	99.2	96	99.9
Redundancy	3.3	3.1	3.4
CC(1/2)		0.995	0.577

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