8UPP

Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	111.947, 111.954, 111.944
Unit cell angles	110.91, 107.73, 109.76

Refinement procedure

Resolution	34.350 - 1.780
R-factor	0.2646
Rwork	0.264
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.350	3.850
High resolution limit [Å]	1.780	1.780
Number of reflections	372120	31881
<I/σ(I)>	20.3
Completeness [%]	93.3
Redundancy	12.3
CC(1/2)	0.765	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M NH4I, 20% PEG3350