6V8B

Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97926
Spacegroup name	C 2 2 21
Unit cell lengths	45.782, 105.010, 168.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.560 - 3.130
R-factor	0.2607
Rwork	0.258
R-free	0.31550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	internal
RMSD bond length	0.003
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.460	3.300
High resolution limit [Å]	3.130	3.130
Rmerge	0.244	0.826
Rmeas	0.299	0.968
Rpim	0.123	0.407
Total number of observations	46232	6439
Number of reflections	7489	1091
<I/σ(I)>	9.1	5.3
Completeness [%]	99.3	99.7
Redundancy	6.2	5.9
CC(1/2)	0.958	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	INDEX F6. 25% PEG3350, 0.2 M Ammonium sulfate, 0.1 M BisTris pH 5.5