6PD8

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39

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	CCD
Collection date	2016-06-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	46.067, 56.656, 123.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.142 - 2.738
R-factor	0.1952
Rwork	0.193
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ba2
RMSD bond length	0.004
RMSD bond angle	0.767
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]	43.142	2.840
High resolution limit [Å]	2.738	2.738
Rpim	0.047	0.334
Number of reflections	8950	854
<I/σ(I)>	15.4	2.5
Completeness [%]	99.8	98.3
Redundancy	7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5