7E1Q

Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	42.829, 65.953, 68.891
Unit cell angles	90.00, 96.31, 90.00

Refinement procedure

Resolution	42.570 - 1.700
R-factor	0.1455
Rwork	0.144
R-free	0.17330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iql
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.891	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	41292	4148
<I/σ(I)>	15.6
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.986	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris-HCl, 25% w/v PEG 3350