5LPJ

Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1

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	2014-10-07
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	34.216, 49.246, 80.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.041 - 1.650
R-factor	0.1703
Rwork	0.167
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo-CBP
RMSD bond length	0.003
RMSD bond angle	0.692
Data reduction software	XDS
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.268	0.788
Number of reflections	34576
<I/σ(I)>	6.7
Completeness [%]	93.2	20
Redundancy	11	1.1
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	277	LiSO4, PEG 3350