6FQT

Crystal structure of CREBBP bromodomain complexd with DR46

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	2017-09-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999989
Spacegroup name	P 1 21 1
Unit cell lengths	25.082, 43.897, 51.572
Unit cell angles	90.00, 98.74, 90.00

Refinement procedure

Resolution	33.263 - 1.800
R-factor	0.202
Rwork	0.196
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.009
RMSD bond angle	1.061
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.900	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.051	0.488
Number of reflections	10223	597
<I/σ(I)>	13.6	2.2
Completeness [%]	98.5	99.8
Redundancy	4.4	3.8
CC(1/2)	0.997	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Hepes, pH7.5, 0.2 M LiSO4, 25% PEG3350