8CNB

Crystal structure of CREBBP-Y1503C 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	2019-04-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	86.669, 144.819, 155.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 1.986
R-factor	0.2647
Rwork	0.262
R-free	0.31630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.852
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.732	2.256
High resolution limit [Å]	1.986	1.986
Rmerge	0.108	1.297
Rmeas	0.113	1.353
Rpim	0.031	0.380
Number of reflections	34049	1702
<I/σ(I)>	12.9	1.8
Completeness [%]	92.6
Redundancy	13.3
CC(1/2)	0.998	0.762

Crystallization Conditions

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