4TU4

Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	193
Detector technology	CCD
Collection date	2014-02-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 65 2 2
Unit cell lengths	79.288, 79.288, 137.945
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.470 - 1.730
R-factor	0.185
Rwork	0.184
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dai
RMSD bond length	0.011
RMSD bond angle	1.370
Data scaling software	SCALA (3.3.21)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.665	1.820
High resolution limit [Å]	1.730	1.730
Rmerge		1.649
Number of reflections	27509
<I/σ(I)>	14	0.4
Completeness [%]	99.9	100
Redundancy	16.9	17.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	2.1-2.4M Ammonium Sulfate, 0.1M Bis-Tris pH 5.5, 10% Glycerol.