5GH9

Crystal structure of CBP Bromodomain with H3K56ac peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9776
Spacegroup name	P 21 21 21
Unit cell lengths	42.826, 45.832, 66.038
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.652 - 1.451
R-factor	0.1469
Rwork	0.145
R-free	0.17640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oui
RMSD bond length	0.005
RMSD bond angle	0.835
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.450	4.070	1.450
Rmerge	0.061	0.030	0.547
Number of reflections	24495
<I/σ(I)>	8.5
Completeness [%]	99.7	98.9	99.7
Redundancy	5.9	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.05 M Cadmium sulfate hydrate, 0.1 M HEPES, 1.0 M Sodium acetate trihydrate,