6EPR

The ATAD2 bromodomain in complex with compound UZH-DS15

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	2017-07-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000040
Spacegroup name	P 65 2 2
Unit cell lengths	80.087, 80.087, 137.844
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.888 - 2.053
R-factor	0.198
Rwork	0.196
R-free	0.23230
RMSD bond length	0.009
RMSD bond angle	1.169
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.888	2.180
High resolution limit [Å]	2.050	2.050
Rmeas	0.072	0.841
Number of reflections	30909	4963
<I/σ(I)>	18.89	2.26
Completeness [%]	99.9	99.6
Redundancy	6.97	6.53
CC(1/2)	0.999	0.761

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