8SDX

ATAD2B bromodomain in complex with histone H4 acetylated at lysine 5 with Serine 1 mutation to Cysteine

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]	100
Detector technology	CMOS
Collection date	2021-04-20
Detector	RDI CMOS_8M
Wavelength(s)	1.072
Spacegroup name	P 1 21 1
Unit cell lengths	47.687, 79.629, 64.348
Unit cell angles	90.00, 105.14, 90.00

Refinement procedure

Resolution	33.520 - 2.690
R-factor	0.2262
Rwork	0.224
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.409
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]	33.520	2.780
High resolution limit [Å]	2.690	2.690
Rmerge	0.124	1.626
Number of reflections	12940	1036
<I/σ(I)>	7.63
Completeness [%]	96.5
Redundancy	3.7
CC(1/2)	0.995	0.374

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2 M Ammonium sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350