6OFQ

ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori in complex with peptide STSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	64.120, 75.770, 128.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.920 - 1.450
R-factor	0.1483
Rwork	0.147
R-free	0.17510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f1q
RMSD bond length	0.012
RMSD bond angle	2.192
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.920	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.093	0.393
Rmeas	0.115	0.497
Rpim	0.065	0.297
Total number of observations	239729	11020
Number of reflections	95404	4613
<I/σ(I)>	6.2	1.9
Completeness [%]	86.1	84.6
Redundancy	2.5	2.4
CC(1/2)	0.992	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	23% PEG 3350, 0.25 M tri-ammonium citrate