7XS0

Trimer structure of HtrA from Helicobacter pylori bound with a tripeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97775
Spacegroup name	H 3 2
Unit cell lengths	139.506, 139.506, 191.374
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.210 - 2.590
R-factor	0.2322
Rwork	0.231
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xs2
RMSD bond length	0.005
RMSD bond angle	0.884
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.660
High resolution limit [Å]	2.590	6.410	2.600
Rmerge	0.064	0.040	1.634
Rmeas	0.066	0.041	1.679
Rpim	0.016	0.010	0.383
Number of reflections	22542	1587	1460
<I/σ(I)>	9.9
Completeness [%]	100.0	100	100
Redundancy	17.7	16.8	18.4
CC(1/2)		0.997	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Bis-Tris, pH 6.5, 2.2 M sodium malonate