6HI4

The ATAD2 bromodomain in complex with compound 7

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	79.669, 79.669, 137.884
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.768 - 1.690
R-factor	0.2025
Rwork	0.202
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f36
RMSD bond length	0.008
RMSD bond angle	1.033
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.768	1.790
High resolution limit [Å]	1.690	1.690
Rmeas	0.058	1.177
Number of reflections	54799	8790
<I/σ(I)>	18.27	1.39
Completeness [%]	99.8	99.2
Redundancy	6.88	6.58
CC(1/2)	0.999	0.595

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