8SDO

ATAD2 bromodomain in complex with "oncohistone" mutation H4S1CK5ac (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	2021-04-12
Detector	RDI CMOS_8M
Wavelength(s)	1.0722
Spacegroup name	P 43 2 2
Unit cell lengths	53.941, 53.941, 159.522
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.460 - 2.010
R-factor	0.2021
Rwork	0.201
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.890
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]	27.460	2.082
High resolution limit [Å]	2.010	2.010
Number of reflections	16480	1529
<I/σ(I)>	18.91
Completeness [%]	99.5
Redundancy	13.4
CC(1/2)	0.999	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2.4 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 6.4