7E1S

Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP

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	2020-11-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	98.894, 100.133, 105.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.620 - 2.310
R-factor	0.236
Rwork	0.233
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iql
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.479	2.350
High resolution limit [Å]	2.300	2.300
Number of reflections	46632
<I/σ(I)>	10.1
Completeness [%]	99.8
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M MES, pH 7.0, 20% PEG 4000