7RBQ

Co-crystal structure of human PRMT9 in complex with MT556 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 1 21 1
Unit cell lengths	64.044, 82.061, 65.767
Unit cell angles	90.00, 97.71, 90.00

Refinement procedure

Resolution	48.910 - 2.200
R-factor	0.2154
Rwork	0.212
R-free	0.27060
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.124
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.077	0.044	0.742
Rmeas	0.090	0.052	0.914
Rpim	0.046	0.026	0.523
Total number of observations	116990
Number of reflections	33259	1776	1375
<I/σ(I)>	6.1
Completeness [%]	97.1	100	81.4
Redundancy	3.5	3.7	2.5
CC(1/2)		0.997	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25%(w/v)PEG3350, 0.1M Ammonium Sulphate, 0.1M Bis-Tris pH7.4