5LPL

Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c

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	2016-02-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.799
Spacegroup name	C 1 2 1
Unit cell lengths	88.838, 35.438, 40.503
Unit cell angles	90.00, 93.58, 90.00

Refinement procedure

Resolution	32.907 - 1.650
R-factor	0.1648
Rwork	0.163
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo-CBP
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.330	44.330	1.010
High resolution limit [Å]	0.990	5.420	0.990
Rmerge	0.243	0.035
Rmeas	0.290
Rpim	0.156
Total number of observations	151742
Number of reflections	47457
<I/σ(I)>	2.9
Completeness [%]	67.4	98	100
Redundancy	3.2	3.4	1
CC(1/2)	0.994	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	277	NaCl, PEG 3350