9OOJ

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 18c

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.953723
Spacegroup name	P 21 21 21
Unit cell lengths	46.468, 57.805, 120.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.370 - 1.820
R-factor	0.1883
Rwork	0.186
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.980
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]	43.370	1.890
High resolution limit [Å]	1.820	1.820
Rmerge	0.089	0.604
Rmeas	0.094	0.635
Rpim	0.029	0.193
Number of reflections	29967	2945
<I/σ(I)>	19.46	3.89
Completeness [%]	100.0	99.97
Redundancy	10.1	10.5
CC(1/2)	0.999	0.907

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