8FV2

Bromodomain of CBP liganded with CCS-1477

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	93
Detector technology	CCD
Collection date	2020-02-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 41
Unit cell lengths	79.453, 79.453, 97.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.440 - 1.870
R-factor	0.1908
Rwork	0.190
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.110
Data reduction software	HKL-2000 (719.2)
Data scaling software	HKL-2000 (719.2)
Phasing software	PHENIX (1.20.1-4487)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.440	1.900
High resolution limit [Å]	1.870	1.870
Rmeas	0.155	0.966
Number of reflections	49406	2111
<I/σ(I)>	9.9	0.8
Completeness [%]	99.1	84
Redundancy	4	2.4
CC(1/2)	0.985	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic