5U4X

Coactivator-associated arginine methyltransferase 1 with TP-064

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-13
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	75.091, 98.919, 207.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.880
R-factor	0.1884
Rwork	0.188
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ikp
RMSD bond length	0.009
RMSD bond angle	1.387
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.910
High resolution limit [Å]	1.880	5.100	1.880
Rmerge	0.089	0.040	1.021
Rmeas	0.096
Rpim	0.034
Total number of observations	971179
Number of reflections	126636
<I/σ(I)>	6.2
Completeness [%]	99.9	98.9	100
Redundancy	7.7	7.3	7.3
CC(1/2)		0.999	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	20% PEG 3350, 0.2 M AmSO4, 0.1 M Tris pH8.5