9OOD

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

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	46.598, 57.048, 120.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.377 - 2.200
R-factor	0.1964
Rwork	0.194
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.920
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]	41.380	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.093	0.624
Rmeas	0.099	0.660
Rpim	0.031	0.212
Number of reflections	16899	1611
<I/σ(I)>	17.1	3.6
Completeness [%]	97.5	97.75
Redundancy	9.8	9.4
CC(1/2)	0.999	0.916

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