8FVS

Bromodomain of CBP liganded with CCS1477int

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2021-04-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	35.070, 79.190, 46.130
Unit cell angles	90.00, 93.85, 90.00

Refinement procedure

Resolution	39.790 - 1.750
R-factor	0.1538
Rwork	0.152
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.113
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XSCALE (Jan 10, 2022)
Phasing software	PHENIX (1.20.1-4487)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.790	1.800
High resolution limit [Å]	1.750	1.750
Rmeas	0.244	0.574
Number of reflections	25279	1817
<I/σ(I)>	16.2	6.1
Completeness [%]	99.6	98.8
Redundancy	7.3
CC(1/2)	0.994	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2M Magnesium chloride hexahydrate, 0.1 M Tris 8.5, 25 % w/v Polyethylene glycol 3,350