5BJU

X-ray structure of the PglF dehydratase from Campylobacter jejuni in complex with UDP and NAD(H)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-06
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	69.135, 107.882, 110.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.19519
Rwork	0.193
R-free	0.23673
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.701
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.092	0.253
Number of reflections	54971	7076
<I/σ(I)>	13.2	4.6
Completeness [%]	97.3	93.4
Redundancy	3.7	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	22% PEG-5000, 2% MPD, 10 mM UDP, 100 mM MES