9OOF

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

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	46.532, 57.519, 121.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.176 - 1.681
R-factor	0.1825
Rwork	0.181
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.892
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]	36.180	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.072	0.258
Rmeas	0.076	0.272
Rpim	0.024	0.085
Number of reflections	37839	3652
<I/σ(I)>	21.15	7.27
Completeness [%]	99.8	97.83
Redundancy	10.1	10.2
CC(1/2)	0.998	0.972

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