6EPU

The ATAD2 bromodomain in complex with compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000360
Spacegroup name	P 65 2 2
Unit cell lengths	79.765, 79.765, 136.533
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.556 - 1.800
R-factor	0.1933
Rwork	0.192
R-free	0.21840
RMSD bond length	0.006
RMSD bond angle	0.867
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.556	1.910
High resolution limit [Å]	1.800	1.800
Rmeas	0.073	0.925
Number of reflections	44912	7110
<I/σ(I)>	12.83	1.79
Completeness [%]	99.6	97.9
Redundancy	5.17	4.84
CC(1/2)	0.998	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5