6CPS

Crystal structure of the bromodomain of human ATAD2 with a disulfide bridge

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	CMOS
Collection date	2014-04-21
Detector	Bruker PHOTON II
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	79.359, 79.359, 138.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.680 - 1.930
R-factor	0.1849
Rwork	0.183
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dai
RMSD bond length	0.007
RMSD bond angle	1.004
Data reduction software	PROTEUM2
Data scaling software	PROTEUM2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.680	1.999
High resolution limit [Å]	1.930	1.930
Rmeas	0.111	1.627
Rpim	0.027	0.587
Number of reflections	36485
<I/σ(I)>	20	1.32
Completeness [%]	99.4	97
Redundancy	16.4	6.9
CC(1/2)	0.999	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M HEPES sodium, pH 7.5, 1.6 M lithium sulfate