7US5

X-ray crystal structure of GDP-D-glycero-D-manno-heptose 4,6-Dehydratase from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-03
Detector	Bruker PHOTON II
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	112.673, 182.950, 75.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.970 - 2.100
R-factor	0.1715
Rwork	0.169
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pk3
RMSD bond length	0.008
RMSD bond angle	1.565
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	91209	11616
<I/σ(I)>	11.2	3
Completeness [%]	99.5	98.6
Redundancy	6.9	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Protein incubated with 5 mM GDP. Precipitant used was 6-10% PEG-8000, 200 mM tetramethylammonium chloride, 100 mM HEPPS (pH 8)