6PDD

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41

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	CCD
Collection date	2016-06-11
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	46.177, 57.005, 122.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.195 - 2.150
R-factor	0.1729
Rwork	0.171
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ba2
RMSD bond length	0.009
RMSD bond angle	1.038
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]	43.195	2.230
High resolution limit [Å]	2.150	2.150
Rpim	0.039	0.208
Number of reflections	17963	1602
<I/σ(I)>	17.8	3.7
Completeness [%]	98.6	89.6
Redundancy	7.9	5.1

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