6V8N

Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	45.650, 104.820, 169.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.460 - 2.300
R-factor	0.2028
Rwork	0.200
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	internal
RMSD bond length	0.012
RMSD bond angle	1.796
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.460	52.460	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.106	0.048	1.304
Rmeas	0.115	0.054	1.408
Total number of observations	129190
Number of reflections	18495	256	1324
<I/σ(I)>	11.4	28.02	1.37
Completeness [%]	99.6	96.6	99.8
Redundancy	6.985	5.496	7.08
CC(1/2)	0.997	0.994	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.2 M Ammonium Sulfate, 0.1 M BisTris pH 5.5, 20% PEG 3350, streak-seed with loop