6EPT

The ATAD2 bromodomain in complex with compound 12

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	2017-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	P 65 2 2
Unit cell lengths	79.740, 79.740, 139.211
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.023 - 1.650
R-factor	0.2033
Rwork	0.202
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f36
RMSD bond length	0.007
RMSD bond angle	1.750
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.023	1.750
High resolution limit [Å]	1.650	1.650
Rmeas	0.044	0.044
Number of reflections	59426	9409
<I/σ(I)>	21.33	1.17
Completeness [%]	99.6	97.7
Redundancy	6.07	3.22
CC(1/2)	1.000	0.645

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