4TT6

Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form

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	2013-08-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 65 2 2
Unit cell lengths	79.639, 79.639, 138.271
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.830 - 2.000
R-factor	0.165
Rwork	0.165
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dai
RMSD bond length	0.012
RMSD bond angle	1.360
Data scaling software	Aimless (0.1.27)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.830	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.111	0.713
Rpim	0.018	0.112
Total number of observations	746601	52818
Number of reflections	18358
<I/σ(I)>	31.4	8.3
Completeness [%]	100.0	100
Redundancy	40.7	40.2
CC(1/2)	0.999	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	278	2.0M Ammonium sulfate, 0.1M Bis-Tris pH5.5