8FUP

Bromodomain of CBP liganded with BMS-536924 and CCS-1477

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	P 21 21 21
Unit cell lengths	42.950, 53.460, 110.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 1.700
R-factor	0.1873
Rwork	0.186
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.164
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]	48.110	1.740
High resolution limit [Å]	1.700	1.700
Rmeas	0.420	1.040
Number of reflections	28656	2100
<I/σ(I)>	9.2	2.2
Completeness [%]	99.7	99.1
Redundancy	5.4	6.4
CC(1/2)	0.927	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2 M Ammonium sulfate, 30% w/v Polyethylene glycol 8000