7BKR

Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2020-10-24
Detector	PSI JUNGFRAU 4M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	52.893, 74.003, 45.817
Unit cell angles	90.00, 108.97, 90.00

Refinement procedure

Resolution	43.330 - 2.100
R-factor	0.1494
Rwork	0.147
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rsv
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.330	2.170
High resolution limit [Å]	2.100	2.100
Rpim	0.243	0.846
Number of reflections	19537	1969
<I/σ(I)>	6.65	1.56
Completeness [%]	99.6
Redundancy	5.6
CC(1/2)	0.970	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	100 mM ammonium acetate, 100 mM sodium acetate pH 4.6 and 26 to 30% PEG 4000