5DX0

Crystal structure of CARM1, sinefungin, and H3 peptide (R17)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	75.722, 98.847, 208.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.2137
Rwork	0.211
R-free	0.26320
RMSD bond length	0.010
RMSD bond angle	1.376
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.079	0.032	0.644
Rmeas	0.092	0.038	0.747
Rpim	0.046	0.019	0.374
Total number of observations	309548
Number of reflections	88915
<I/σ(I)>	6.8
Completeness [%]	89.9	98.5	89.9
Redundancy	3.5	3.6	3.6
CC(1/2)		0.999	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350