8CMZ

Crystal structure of CREBBP-R1446C 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	2019-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	87.181, 145.095, 154.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.760 - 2.252
R-factor	0.2424
Rwork	0.239
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.359
Phasing software	PHASER
Refinement software	autoBUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.857	2.539
High resolution limit [Å]	2.252	2.252
Rmerge	0.121	1.390
Rmeas	0.125	1.451
Rpim	0.034	0.409
Number of reflections	23161	1158
<I/σ(I)>	12.2	1.8
Completeness [%]	93.5
Redundancy	13.4
CC(1/2)	0.998	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	0,1 M Ammonium citrate tribasic pH 7.0 12 % w/v Polyethylene glycol 3,350