9OOE

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

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)	0.953729987144
Spacegroup name	P 21 21 21
Unit cell lengths	46.641, 57.534, 120.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.502 - 2.100
R-factor	0.2002
Rwork	0.198
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.906
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]	43.502	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.046	0.190
Rmeas		0.691
Rpim	0.062	0.267
Number of reflections	19516	1918
<I/σ(I)>	9.23	3.84
Completeness [%]	99.4	99.79
Redundancy	2	2
CC(1/2)	0.997	0.868

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