8CNA

Crystal structure of CREBBP-R1446C 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	2020-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	86.825, 144.504, 154.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.250 - 2.463
R-factor	0.2362
Rwork	0.233
R-free	0.30370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.247
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.575	2.744
High resolution limit [Å]	2.463	2.463
Rmerge	0.184	1.635
Rmeas	0.191	1.701
Rpim	0.051	0.464
Number of reflections	19255	964
<I/σ(I)>	12.1	1.8
Completeness [%]	94.0
Redundancy	13.6
CC(1/2)	0.998	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.3	298	0,2 M Lithium citrate tribasic tetrahydrate 20 % w/v Polyethylene glycol 3,350 pH 8,3