8IYO

Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07227
Spacegroup name	P 61
Unit cell lengths	87.797, 87.797, 216.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.080 - 2.400
R-factor	0.1777
Rwork	0.176
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.080	44.080	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.150	0.053	1.418
Rmeas	0.154	0.054	1.457
Rpim	0.036	0.013	0.332
Total number of observations	675020	12586	73460
Number of reflections	36841	724	3873
<I/σ(I)>	15.2	43.4	2.7
Completeness [%]	100.0	99	99.9
Redundancy	18.3	17.4	19
CC(1/2)	1.000	1.000	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.02M magnesium chloride hexahydrate, 0.1M HEPES pH 7.5, 22% (w/v) poly(acrylic acid, sodium salt) 5100, ethylene glycol (cryo, soaked)