6OWI

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85

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	2012-07-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	46.370, 56.790, 121.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.892 - 1.750
R-factor	0.1977
Rwork	0.196
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oin
RMSD bond length	0.017
RMSD bond angle	1.405
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1-2575_1496:))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	121.700	1.813
High resolution limit [Å]	1.750	1.750
Rmeas	0.055
Rpim	0.039	0.236
Number of reflections	31523	3156
<I/σ(I)>	11.4	3.04
Completeness [%]	94.8	96.37
Redundancy	2	2
CC(1/2)	0.997	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	20% PEG3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0