4TT4

Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide

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	2013-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	C 2 2 21
Unit cell lengths	108.160, 115.680, 77.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.010 - 2.700
R-factor	0.2161
Rwork	0.215
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dai
RMSD bond length	0.008
RMSD bond angle	1.215
Data scaling software	Aimless (0.1.27)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.840	57.840	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.200	0.062	0.818
Rpim	0.084	0.025	0.335
Total number of observations	91579	2761	12590
Number of reflections	13680
<I/σ(I)>	6	14.1	2.2
Completeness [%]	99.9	99.3	100
Redundancy	6.7	6.5	7
CC(1/2)	0.992	0.998	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	278	2.0M Ammonium sulfate, 100mM Tris pH8.5.