5MME

Crystal structure of CREBBP bromodomain complexd with US46C

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)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	53.371, 54.265, 81.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.090 - 1.350
R-factor	0.1641
Rwork	0.164
R-free	0.17610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.005
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.090
High resolution limit [Å]	1.350
Rmerge	0.048
Number of reflections	51995
<I/σ(I)>	17.2
Completeness [%]	99.2
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Cacodylate, pH6.5, 0.2 M Calcium acetate, 18% PEG8000