5Y2D

Crystal structure of H. pylori HtrA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99
Spacegroup name	H 3 2
Unit cell lengths	128.880, 128.880, 184.536
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.495 - 3.700
R-factor	0.331574575122
Rwork	0.331
R-free	0.33443
RMSD bond length	0.012
RMSD bond angle	1.943
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.810
High resolution limit [Å]	3.700	8.940	3.720
Rmerge	0.117	0.049	0.488
Rmeas	0.123	0.052	0.511
Rpim	0.037	0.017	0.152
Number of reflections	6505	492	449
<I/σ(I)>	5
Completeness [%]	100.0	99.6	100
Redundancy	11.1	9.8	11.4
CC(1/2)		0.998	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.1 M DL-malic acid pH 7.0, 0.1 M HEPES pH 7.0