5Y28

Crystal structure of H. pylori HtrA with PDZ2 deletion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	89.910, 91.500, 120.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.876 - 3.086
R-factor	0.259468200327
Rwork	0.257
R-free	0.29838
RMSD bond length	0.002
RMSD bond angle	0.538
Data reduction software	HKL-2000
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	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.089	0.045	1.345
Rmeas	0.104	0.053	1.570
Rpim	0.054	0.028	0.807
Total number of observations	151679
Number of reflections	18846
<I/σ(I)>	7.2
Completeness [%]	97.6	98.1	94
Redundancy	3.6	3.7	3.6
CC(1/2)		0.995	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES pH 7.5, 0.2 M proline, 18%-20% PEG 1500