8QDI

compound 1b 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	2019-02-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	110.516, 110.516, 129.837
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.901 - 1.467
Rwork	0.158
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.736
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]	47.901	47.850	1.490
High resolution limit [Å]	1.467	8.030	1.470
Rmerge	0.095	0.031	4.189
Rmeas	0.097	0.031	4.331
Rpim	0.021	0.007	1.086
Number of reflections	80097	606	3793
<I/σ(I)>	26.4
Completeness [%]	99.8
Redundancy	39.4	34.3	29.6
CC(1/2)	1.000	1.000	0.448

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.1 M Na3Citrate, 0.1M HEPES 7.25