5WJD

Crystal structure of Naa80 bound to acetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	P 21 21 21
Unit cell lengths	41.685, 62.643, 63.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.684 - 2.001
R-factor	0.1876
Rwork	0.184
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cnm
RMSD bond length	0.003
RMSD bond angle	0.744
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.177	0.080	0.756
Rmeas	0.185	0.084	0.797
Rpim	0.052	0.024	0.245
Total number of observations	144411
Number of reflections	11715	672	575
<I/σ(I)>	4.7
Completeness [%]	99.5	99.9	99.8
Redundancy	12.3	11.5	10
CC(1/2)		0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	24% polyethylene glycol (PEG) 3350, 0.1 M Bis Tris propane (pH 7.6, pH adjusted with citric acid) and 10 mM NaBr