6HI7

The ATAD2 bromodomain in complex with compound 10

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	2016-11-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999870
Spacegroup name	P 65 2 2
Unit cell lengths	80.516, 80.516, 137.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.019 - 1.743
R-factor	0.1948
Rwork	0.194
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f36
RMSD bond length	0.007
RMSD bond angle	1.020
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]	49.019	1.850
High resolution limit [Å]	1.740	1.740
Rmeas	0.059	1.780
Number of reflections	50938	8125
<I/σ(I)>	21.66	1.31
Completeness [%]	99.7	98.5
Redundancy	10.41	10.31
CC(1/2)	1.000	0.606

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