7NZ5

monomeric acetyl-CoA synthase with Zn at the proximal position of cluster A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.918
Spacegroup name	P 21 21 21
Unit cell lengths	69.246, 98.811, 238.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.190 - 1.900
R-factor	0.1938
Rwork	0.193
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ru3
RMSD bond length	0.011
RMSD bond angle	1.224
Data reduction software	XDS (1.18.2_3874)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.190	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.031	0.451
Rmeas	0.044	0.638
Rpim	0.031	0.451
Number of reflections	127825	9008
<I/σ(I)>	9.4	1.1
Completeness [%]	98.5
Redundancy	2
CC(1/2)	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	70 mM Bis-Tris-Propane pH 7.6, 30 mM citric acid, 24% w/v PEG 3350, 5 mM Ti(III)citrate