4QSU

Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	79.120, 79.120, 138.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.330 - 1.900
R-factor	0.16897
Rwork	0.167
R-free	0.20342
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id: 3DAI
RMSD bond length	0.015
RMSD bond angle	1.650
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.510	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.098	0.854
Number of reflections	20842
<I/σ(I)>	12.7	2.2
Completeness [%]	100.0	100
Redundancy	7.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277.15	apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K