8SHB

Crystal Structure of PRMT3 with Compound YD1-208

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	2021-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	70.140, 70.140, 172.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.650 - 2.090
R-factor	0.20652
Rwork	0.205
R-free	0.23776
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.439
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	2.120
High resolution limit [Å]	2.080	5.640	2.080
Rmerge	0.130	0.047	0.949
Rmeas	0.136	0.050	0.983
Rpim	0.037	0.015	0.248
Total number of observations	360421
Number of reflections	25025	1412	1239
<I/σ(I)>	6.1
Completeness [%]	95.0	93.8	95.7
Redundancy	14.4	11.2	14.3
CC(1/2)	0.992	0.998	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG3350, 0.3 M Sodium formate