6PU3

ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100.15
Detector technology	CCD
Collection date	2018-06-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	65.100, 76.010, 127.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.120 - 1.800
R-factor	0.1476
Rwork	0.146
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f1q
RMSD bond length	0.011
RMSD bond angle	2.016
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.120	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.102	0.348
Number of reflections	59276	3464
<I/σ(I)>	7.5
Completeness [%]	99.0
Redundancy	3.6
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	23% w/v polyethylene glycol (PEG) 3350, 0.25 M tri-ammonium citrate