5MMG

Crystal structure of CREBBP bromodomain complexed with UT07C

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	2016-09-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	34.181, 49.299, 80.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.252 - 1.230
R-factor	0.1574
Rwork	0.157
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.005
RMSD bond angle	0.872
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.040
High resolution limit [Å]	1.230
Rmerge	0.163
Number of reflections	39623
<I/σ(I)>	28.2
Completeness [%]	98.4
Redundancy	5.6

Crystallization Conditions

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