9OO9

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-02
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	46.497, 58.035, 121.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.327 - 2.200
R-factor	0.1905
Rwork	0.188
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.954
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.330	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.093	0.203
Rmeas	0.132	0.287
Rpim	0.105	0.213
Number of reflections	17192	1676
<I/σ(I)>	5.89	3.09
Completeness [%]	99.4	100
Redundancy	2	2
CC(1/2)	0.980	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.25 M Potassium/Sodium Tartrate, 20% PEG3350