5EP7

Crystal structure of the bromodomain of human CREBBP in complex with UN32

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00002
Spacegroup name	P 21 21 21
Unit cell lengths	24.353, 45.359, 104.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.591 - 1.198
R-factor	0.1665
Rwork	0.166
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.158
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.115	45.359	1.260
High resolution limit [Å]	1.198	3.790	1.198
Rmerge		0.027	0.154
Rmeas	0.038
Rpim	0.011	0.008	0.048
Total number of observations	434398	15588	55909
Number of reflections	37308
<I/σ(I)>	37.4	78.9	13.3
Completeness [%]	99.7	99.8	98.1
Redundancy	11.6	11.5	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.2M KSCN, 20% PEG3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K