6EPX

The ATAD2 bromodomain in complex with compound 3

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	2017-05-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	79.575, 79.575, 138.187
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.790 - 1.840
R-factor	0.2053
Rwork	0.205
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.059
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.790	1.950
High resolution limit [Å]	1.840	1.840
Rmeas	0.035	0.651
Number of reflections	42520	6773
<I/σ(I)>	23.05	1.64
Completeness [%]	99.7	98.3
Redundancy	4.33	2.64
CC(1/2)	1.000	0.697

Crystallization Conditions

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