6FR0

Crystal structure of CREBBP bromodomain complexd with PB08

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	2017-10-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000041
Spacegroup name	P 1 21 1
Unit cell lengths	51.309, 43.884, 51.425
Unit cell angles	90.00, 99.21, 90.00

Refinement procedure

Resolution	39.121 - 1.500
R-factor	0.1797
Rwork	0.178
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.007
RMSD bond angle	1.062
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]	43.880	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.062	0.417
Number of reflections	35942	1776
<I/σ(I)>	14.5
Completeness [%]	98.8	98.9
Redundancy	6.6	6.6
CC(1/2)	0.998	0.920

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