6PGU

Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	66.253, 97.599, 105.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.720
R-factor	0.1673
Rwork	0.165
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.033
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.720	3.710	1.720
Rmerge	0.065	0.040	0.927
Rmeas	0.067	0.043
Rpim	0.026	0.016	0.401
Total number of observations	532874
Number of reflections	73618	7730	7265
<I/σ(I)>	10.8
Completeness [%]	100.0	99.9	99.7
Redundancy	7.2	7.1	6.1
CC(1/2)		0.998	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	20% MPD, 0.1 M Tris pH 8, 7.5% PEG-MME 5000