6BA2

Crystal structure of MYST acetyltransferase domain in complex with inhibitor

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	2015-06-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	46.231, 56.916, 120.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.186 - 1.850
R-factor	0.195614080285
Rwork	0.194
R-free	0.22802
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MOF Catalytic Domain
RMSD bond length	0.015
RMSD bond angle	1.105
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]	46.230	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.072	0.698
Rmeas	0.080	0.779
Rpim	0.035	0.338
Number of reflections	27815	1669
<I/σ(I)>	13.4	2.2
Completeness [%]	99.4	98.6
Redundancy	4.9	5
CC(1/2)	0.998	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2 M NaCl, 0.1 M Tris pH 7.0, 0.22 M MgCl2