9QS7

AcuB,Acetoin utilization protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97626
Spacegroup name	P 65 2 2
Unit cell lengths	81.546, 81.546, 338.549
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.620 - 2.410
R-factor	0.2407
Rwork	0.238
R-free	0.28320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.563
Data reduction software	autoPROC (1.1.7 (20210504))
Data scaling software	XDS (VERSION Jan 10, 2022 BUILT=20220220)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.620	2.497
High resolution limit [Å]	2.410	2.411
Number of reflections	26891	2586
<I/σ(I)>	35.04
Completeness [%]	100.0
Redundancy	36.8
CC(1/2)	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M sodium chloride, 0.1 M imidazole (pH 8.0), and 1.0 M potassium/sodium tartrate