4QSS

Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP)

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	2011-09-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	79.444, 79.444, 139.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.160 - 2.000
R-factor	0.16076
Rwork	0.159
R-free	0.19204
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id: 3DAI
RMSD bond length	0.016
RMSD bond angle	1.528
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.250	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.111	0.869
Number of reflections	18023
<I/σ(I)>	15.3	2
Completeness [%]	99.1	97
Redundancy	6.4	5.3

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 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K