6EPJ

The ATAD2 bromodomain in complex with compound 6

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	80.191, 80.191, 137.444
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.096 - 1.652
R-factor	0.1788
Rwork	0.177
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.166
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.096	1.750
High resolution limit [Å]	1.650	1.650
Rmeas	0.056	0.828
Number of reflections	59272	9476
<I/σ(I)>	24.89	2.88
Completeness [%]	99.7	98.6
Redundancy	10.4	9.54
CC(1/2)	1.000	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	2.0 M ammonium sulfate 0.1 M Bis-tris pH 5.5