5OWK

Crystal structure of CREBBP bromodomain complexed with DSPB2A002

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999989
Spacegroup name	P 21 21 21
Unit cell lengths	44.337, 45.073, 61.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.281 - 1.250
R-factor	0.1629
Rwork	0.162
R-free	0.17610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.005
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.070	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.041	0.089
Number of reflections	33757	1613
<I/σ(I)>	28.8
Completeness [%]	97.9	96
Redundancy	6
CC(1/2)	0.997	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M MES, pH6.5, 0.1 M MgCl2, 20% PEG6K, 10% EG