9H0K

Crystal structure of human CREBBP histone acetyltransferase domain in complex with Propionyl- Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	83.408, 88.513, 112.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.550 - 1.750
R-factor	0.1979
Rwork	0.196
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.003
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.553	1.930
High resolution limit [Å]	1.750	1.750
Rmerge	0.210	2.003
Rmeas	0.223	2.138
Rpim	0.074	0.741
Number of reflections	58454	2923
<I/σ(I)>	7.2	1.6
Completeness [%]	92.0
Redundancy	9.1
CC(1/2)	0.994	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.1M Na3 cit , 2.4M (NH4)2SO4