6OWH

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92

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	46.560, 57.290, 122.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.058 - 2.000
R-factor	0.1931
Rwork	0.191
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oin
RMSD bond length	0.011
RMSD bond angle	1.232
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]	122.490	2.071
High resolution limit [Å]	2.000	2.000
Rmeas	0.056	0.324
Rpim	0.039	0.229
Number of reflections	22844	2228
<I/σ(I)>	12.56	3.22
Completeness [%]	99.9	100
Redundancy	2	2
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0