7BKZ

Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 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	2020-10-23
Detector	PSI JUNGFRAU 4M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	53.103, 73.949, 45.779
Unit cell angles	90.00, 109.33, 90.00

Refinement procedure

Resolution	43.200 - 1.900
R-factor	0.1444
Rwork	0.143
R-free	0.16670
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]	43.200	1.968
High resolution limit [Å]	1.900	1.900
Rpim	0.053	0.378
Number of reflections	26375	14079
<I/σ(I)>	9.7	1.68
Completeness [%]	99.9
Redundancy	6.2
CC(1/2)	0.997	0.692

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