8CND

Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	86.810, 149.195, 154.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.460 - 2.972
R-factor	0.2802
Rwork	0.278
R-free	0.32560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.459	3.023
High resolution limit [Å]	2.972	2.972
Rmerge	0.146	1.098
Rmeas	0.152	1.143
Rpim	0.044	0.315
Number of reflections	21096	1018
<I/σ(I)>	10.7	2.2
Completeness [%]	100.0	100
Redundancy	12.4
CC(1/2)	0.996	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	298	0,2 M Potassium citrate tribasic monohydrate 20 % w/v Polyethylene glycol 3,350 pH 8,2