8OG2

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

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	2019-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	86.766, 145.690, 155.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.660 - 2.470
R-factor	0.2382
Rwork	0.236
R-free	0.28870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.428
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.257	2.824
High resolution limit [Å]	2.470	2.470
Rmerge	0.144	1.809
Rmeas	0.150	1.887
Rpim	0.041	0.530
Number of reflections	19721	987
<I/σ(I)>	12.6	1.6
Completeness [%]	93.5
Redundancy	13.5
CC(1/2)	0.998	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M Potassium citrate tribasic monohydrate 20 % w/v Polyethylene glycol 3,350