6FQO

Crystal structure of CREBBP bromodomain complexd with DT29

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	50.736, 43.664, 51.301
Unit cell angles	90.00, 99.42, 90.00

Refinement procedure

Resolution	38.912 - 1.350
R-factor	0.1719
Rwork	0.171
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.007
RMSD bond angle	1.126
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]	43.660	1.374
High resolution limit [Å]	1.350	1.350
Rmerge	0.033	0.452
Number of reflections	48359	2388
<I/σ(I)>	26.5
Completeness [%]	99.0	96.1
Redundancy	6.6	5.8
CC(1/2)	1.000	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.15 M KSCN, 20% PEG3350, 10% EG