7U9Y

WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-25
Detector	RAYONIX MX-300
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	81.259, 86.122, 41.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 1.900
R-factor	0.1495
Rwork	0.148
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg6
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.099	0.032	0.618
Rmeas	0.106	0.035	0.662
Rpim	0.037	0.013	0.233
Total number of observations	187442
Number of reflections	23402	1293	1130
<I/σ(I)>	7.4
Completeness [%]	100.0	99.8	99.9
Redundancy	8	7.3	7.9
CC(1/2)		0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	BIS-Tris, ammonium acetate, PEG 3350, benzamidine