7UGL

Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30

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	2021-10-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	P 1 21 1
Unit cell lengths	43.080, 59.490, 57.470
Unit cell angles	90.00, 109.76, 90.00

Refinement procedure

Resolution	40.540 - 1.500
R-factor	0.1613
Rwork	0.160
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kpy
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.540	1.540
High resolution limit [Å]	1.500	1.500
Rmeas	0.132	0.818
Number of reflections	43721	3213
<I/σ(I)>	11.9	3.1
Completeness [%]	99.6
Redundancy	6.6	5.9
CC(1/2)	0.997	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M DL-Glutamic acid monohydrate; 0.1 M DL-Alanine; 0.1 M Glycine; 0.1 M DL-Lysine monohydrochloride; 0.1 M DL-Serine, 0.1 M Imidazole, 0.1 M MES monohydrate (pH 6.5), 12 % (v/v) Ethylene glycol, 6% w/v PEG 8000