6FQU

Crystal structure of CREBBP bromodomain complexd with DR09

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	2017-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000041
Spacegroup name	P 21 21 21
Unit cell lengths	35.258, 49.762, 80.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.339 - 1.430
R-factor	0.1674
Rwork	0.166
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.005
RMSD bond angle	0.842
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.340	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.060	0.469
Number of reflections	26946	1291
<I/σ(I)>	24.3	4.2
Completeness [%]	99.9	99.4
Redundancy	12.5	8
CC(1/2)	0.999	0.864

Crystallization Conditions

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