9J88

Structures and mechanisms of serine protease inhibitors of Trichinella spiralis and Trichinella pseudospiralis

This is a non-PDB format compatible entry.

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	2020-06-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.547, 71.626, 143.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.620 - 2.340
R-factor	0.2261
Rwork	0.223
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.127
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]	30.270	2.430
High resolution limit [Å]	2.340	2.340
Number of reflections	26731	2449
<I/σ(I)>	18.3
Completeness [%]	99.0
Redundancy	9.5
CC(1/2)	0.990	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.1	32% polyethylene glycol 8K, 0.15 M ammonium sulfate, 0.2 M sodium cacodylate trihydrate, pH 6.8