8SIH

Crystal Structure of PRMT4 with Compound YD1-289

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	86.582, 86.582, 136.026
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.380 - 2.350
R-factor	0.19723
Rwork	0.196
R-free	0.24587
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.441
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.054	0.027	0.987
Rmeas	0.057	0.029	1.055
Rpim	0.020	0.010	0.367
Total number of observations	206006
Number of reflections	25134	1393	1235
<I/σ(I)>	10.3
Completeness [%]	99.9	99.9	100
Redundancy	8.2	7.5	8.2
CC(1/2)	0.998	0.999	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	3.5 M Ammonium chloride, 0.1 M BIS-TRIS propane pH 7.0