6EPV

The ATAD2 bromodomain in complex with compound 5

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	2017-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999870
Spacegroup name	P 65 2 2
Unit cell lengths	79.482, 79.482, 138.006
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.732 - 1.793
R-factor	0.2105
Rwork	0.210
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.927
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]	48.732	1.900
High resolution limit [Å]	1.790	1.790
Rmeas	0.049	0.961
Number of reflections	45731	7320
<I/σ(I)>	19.4	1.76
Completeness [%]	99.8	99.1
Redundancy	5.85	5.71
CC(1/2)	0.999	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2M ammonium sulfate, 0.1M Bis-Tris pH 5.5