6PF1

Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.07812
Spacegroup name	P 21 21 21
Unit cell lengths	65.062, 90.634, 112.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.690 - 2.320
R-factor	0.1866
Rwork	0.184
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.645
Data reduction software	HKL-3000
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.630	2.440
High resolution limit [Å]	2.320	2.320
Rmerge	0.126	0.726
Rmeas	0.146	0.843
Rpim	0.056	0.334
Total number of observations	193469	25321
Number of reflections	29312	4118
<I/σ(I)>	10.8	2.3
Completeness [%]	99.2	97.7
Redundancy	6.6	6.1
CC(1/2)	0.996	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	0.1 M CHES pH 9.5, 30% w/v PEG 3000