8SDQ

ATAD2 bromodomain in complex with H4S1phK5ac (res 1-15) ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	293
Detector technology	CMOS
Collection date	2021-04-13
Detector	RDI CMOS_8M
Wavelength(s)	1.0722
Spacegroup name	P 43 2 2
Unit cell lengths	52.893, 52.893, 162.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.340 - 1.850
R-factor	0.2066
Rwork	0.205
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.962
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.340	1.916
High resolution limit [Å]	1.850	1.850
Rmerge		0.931
Number of reflections	20634	1659
<I/σ(I)>	26.44
Completeness [%]	97.4
Redundancy	13.7
CC(1/2)	1.000	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	60% v/v TascimateTM pH 7.0