6BHF

Crystal structure of the petidylprolyl cis,trans-isomerase from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	90.951, 90.951, 67.048
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.500 - 2.090
R-factor	0.21746
Rwork	0.214
R-free	0.27526
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ez1
RMSD bond length	0.021
RMSD bond angle	2.121
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.140
High resolution limit [Å]	2.090	2.090
Rmerge	0.080	1.515
Rmeas	0.089	1.690
Rpim	0.039	0.730
Number of reflections	19446	1459
<I/σ(I)>	15.2	1.5
Completeness [%]	99.9	99.5
Redundancy	9.8	10.1
CC(1/2)	0.999	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	HEPES (pH 7.0), 30% (v/v) Jeffamine ED-2001