8FVF

Bromodomain of EP300 liganded with CCS-1477

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	2020-06-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 4 21 2
Unit cell lengths	103.150, 103.150, 59.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.740 - 2.100
R-factor	0.1844
Rwork	0.181
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.157
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.740	2.200
High resolution limit [Å]	2.100	2.100
Rmeas	0.175	0.880
Number of reflections	19185	2449
<I/σ(I)>	16	3.5
Completeness [%]	99.8	100
Redundancy	13.4	13.7
CC(1/2)	0.998	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1M Sodium chloride, 0.1M HEPES pH7.5, 1.6M Ammonium sulfate