7NYP

monomeric acetyl-CoA synthase in closed conformation

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	2019-05-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.918
Spacegroup name	P 21 21 21
Unit cell lengths	69.950, 99.478, 238.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.430 - 2.100
R-factor	0.1996
Rwork	0.199
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ru3
RMSD bond length	0.008
RMSD bond angle	1.244
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.440	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.039	0.601
Rmeas	0.056	0.849
Rpim	0.039	0.601
Number of reflections	96729	9478
<I/σ(I)>	8.6	1.1
Completeness [%]	98.8	97.7
Redundancy	2
CC(1/2)	0.999	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.1 M Lithium nitrate, 16% w/v PEG 3350, 5 mM Ti(III)citrate