4TT2

Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac 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	2013-08-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 42 21 2
Unit cell lengths	77.550, 77.550, 62.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.840 - 2.500
R-factor	0.2244
Rwork	0.220
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.775
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.550	77.550	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.118	0.027	1.042
Rpim	0.031	0.008	0.326
Total number of observations	106865	2493	8332
Number of reflections	7014
<I/σ(I)>	16.2	42.6	2.2
Completeness [%]	100.0	99.9	100
Redundancy	15.2	12.9	10.9
CC(1/2)	1.000	1.000	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	278	0.1M Ammonium Acetate, 100mM Bis-Tris pH5.5, 15-20% (w/v) PEG 10000