7T39

Co-crystal structure of human PRMT9 in complex with MT221 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 1 21 1
Unit cell lengths	64.138, 82.735, 65.836
Unit cell angles	90.00, 97.94, 90.00

Refinement procedure

Resolution	49.060 - 2.810
R-factor	0.2301
Rwork	0.228
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pdm
RMSD bond length	0.003
RMSD bond angle	1.192
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
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	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.162	0.077	1.008
Rmeas	0.168	0.080	1.052
Rpim	0.043	0.021	0.295
Total number of observations	241023
Number of reflections	16704	876	812
<I/σ(I)>	4
Completeness [%]	99.6	100	96.7
Redundancy	14.4	14.2	11.3
CC(1/2)		0.996	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	25%(w/v) PEG3350, 0.2M Ammonium Acetate, 0.1M Bis-Tris pH5.5