6HI8

The ATAD2 bromodomain in complex with compound 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000030
Spacegroup name	P 65 2 2
Unit cell lengths	79.413, 79.413, 137.344
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.706 - 1.900
R-factor	0.1946
Rwork	0.194
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f36
RMSD bond length	0.008
RMSD bond angle	0.987
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]	39.710	2.010
High resolution limit [Å]	1.900	1.900
Rmeas	0.069	1.065
Number of reflections	38218	6119
<I/σ(I)>	19.33	1.63
Completeness [%]	99.8	99.1
Redundancy	5.75	5.29
CC(1/2)	0.999	0.603

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