8QDG

compound 1a bound KMT9 crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-08
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99987
Spacegroup name	P 61 2 2
Unit cell lengths	109.852, 109.852, 130.709
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.613 - 1.392
Rwork	0.152
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.788
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.613	47.570	1.420
High resolution limit [Å]	1.390	7.620	1.390
Rmerge	0.153	0.033	4.921
Rmeas	0.157	0.033	5.055
Rpim	0.035	0.007	1.151
Number of reflections	93172	702	4454
<I/σ(I)>	19.8
Completeness [%]	99.9	99.6	98.7
Redundancy	39	32.8	36.7
CC(1/2)	1.000	1.000	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.2 M Na3Citrate, 0.1M Tris 7.5