6SQF

Crystal structure of CREBBP bromodomain complexed with LB32A

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	2019-04-04
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	86.800, 37.380, 41.670
Unit cell angles	90.00, 102.96, 90.00

Refinement procedure

Resolution	42.290 - 2.006
Rwork	0.181
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.290	2.130
High resolution limit [Å]	2.000	2.000
Number of reflections	8777	1396
<I/σ(I)>	9.42
Completeness [%]	98.4
Redundancy	3.4
CC(1/2)	0.995	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1M MES pH 6.5, 12% PEG 20000