4TU6

Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation

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	2013-11-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 1 21 1
Unit cell lengths	41.980, 108.600, 77.650
Unit cell angles	90.00, 103.90, 90.00

Refinement procedure

Resolution	44.060 - 2.270
R-factor	0.192
Rwork	0.189
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dai
RMSD bond length	0.016
RMSD bond angle	1.769
Data scaling software	SCALA (0.1.27)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.923	2.340
High resolution limit [Å]	2.270	2.270
Rmerge	0.144	0.975
Number of reflections	32012
<I/σ(I)>	7.9
Completeness [%]	99.7
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	273	0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350