6EPS

The ATAD2 bromodomain in complex with compound UZH-DQ41

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	2017-03-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000030
Spacegroup name	P 65 2 2
Unit cell lengths	79.801, 79.801, 138.879
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.984 - 2.081
R-factor	0.2298
Rwork	0.228
R-free	0.27430
RMSD bond length	0.008
RMSD bond angle	1.113
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.984	2.210
High resolution limit [Å]	2.080	2.080
Rmeas	0.132	1.000
Number of reflections	29118	4558
<I/σ(I)>	12.79	1.53
Completeness [%]	97.8	94.8
Redundancy	6.82	7.1
CC(1/2)	0.998	0.717

Crystallization Conditions

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