6EPW

The ATAD2 bromodomain in complex with compound UZH-DU32

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	79.072, 79.072, 139.764
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.910 - 1.924
R-factor	0.2238
Rwork	0.223
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.597
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.040
High resolution limit [Å]	1.920	1.920
Rmeas	0.046	0.849
Number of reflections	37062	5875
<I/σ(I)>	23.91	2.03
Completeness [%]	99.7	98.3
Redundancy	6.87	5.88
CC(1/2)	1.000	0.832

Crystallization Conditions

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