7CO3

HtrA-type protease AlgWS227A with tripeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	P 63 2 2
Unit cell lengths	96.614, 96.614, 119.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.490 - 1.900
R-factor	0.2362
Rwork	0.234
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1soz
RMSD bond length	0.013
RMSD bond angle	1.503
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.490	1.996
High resolution limit [Å]	1.898	1.898
Number of reflections	49248	2558
<I/σ(I)>	24.67
Completeness [%]	99.8
Redundancy	28.5
CC(1/2)	0.958	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.8M Sodium/Potassium Phosphate