7Y1U

Crystal structure of isocitrate dehydrogenase from Campylobacter corcagiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.18067
Spacegroup name	P 21 21 21
Unit cell lengths	62.501, 92.694, 147.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.930 - 2.500
R-factor	0.1919
Rwork	0.188
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1itw
RMSD bond length	0.009
RMSD bond angle	1.724
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.125	0.978
Rpim	0.036	0.272
Number of reflections	30370	3368
<I/σ(I)>	18.3	3.1
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	0.999	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M Li2SO4, 0.1 M Tris pH8.5, 40% PEG400