5MQE

Crystal structure of CREBBP bromodomain complexed with CBP006

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	H 3
Unit cell lengths	122.373, 122.373, 39.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.384 - 1.650
R-factor	0.1857
Rwork	0.183
R-free	0.22530
RMSD bond length	0.007
RMSD bond angle	0.903
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	37.380
High resolution limit [Å]	1.650
Rmerge	0.038
Number of reflections	26769
<I/σ(I)>	20.2
Completeness [%]	99.7
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350