7M98

ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) 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	2020-12-13
Detector	RDI CMOS_8M
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	53.560, 53.560, 160.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.540 - 1.600
R-factor	0.1953
Rwork	0.194
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tt2
RMSD bond length	0.014
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.540	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.131	0.661
Rmeas	0.136	0.935
Rpim	0.018	0.661
Number of reflections	32508	3090
<I/σ(I)>	18.87	0.75
Completeness [%]	100.0	97.14
Redundancy	2	2
CC(1/2)	1.000	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2.0 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 6.6