9OOC

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10a

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953730
Spacegroup name	P 21 21 21
Unit cell lengths	46.490, 56.929, 120.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.373 - 2.100
R-factor	0.1877
Rwork	0.185
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.953
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.373	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.854
Rmeas	0.094	0.900
Rpim	0.030	0.281
Number of reflections	19337	1880
<I/σ(I)>	17.04	2.73
Completeness [%]	99.9	99.95
Redundancy	9.8	5.6
CC(1/2)	0.999	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350