8UPQ

Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate.

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	2022-09-29
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	179.822, 134.127, 126.862
Unit cell angles	90.00, 134.83, 90.00

Refinement procedure

Resolution	42.190 - 2.450
R-factor	0.1943
Rwork	0.193
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.615
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.210	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.060
Number of reflections	76291	4942
<I/σ(I)>	9.8
Completeness [%]	97.1
Redundancy	7.8
CC(1/2)	0.970	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	18% v/v 2-propanol 0.1 M sodium citrate pH 5.5 20 % w/v PEG 4000