4TQN

Crystal structure of the bromodomain of human CREBBP in complex with UL04

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	2014-03-28
Detector	PSI PILATUS 6M
Wavelength(s)	0.99989
Spacegroup name	P 1 21 1
Unit cell lengths	24.938, 42.935, 51.983
Unit cell angles	90.00, 97.24, 90.00

Refinement procedure

Resolution	32.996 - 1.700
R-factor	0.1823
Rwork	0.181
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nr5
RMSD bond length	0.006
RMSD bond angle	1.155
Data reduction software	XDS (January 10, 2014 BUILT=20140115)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.935	42.935	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.049	0.380
Rmeas	0.074
Rpim	0.029	0.021	0.166
Total number of observations	78585	2489	10887
Number of reflections	12119
<I/σ(I)>	15.6	29.9	5.3
Completeness [%]	99.9	99.7	100
Redundancy	6.5	6.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M MES pH 6.5, 0.1M MgCl2, 20% PEG 6000, 10% EtGly