7BKV

Endothiapepsin structure obtained at 100K with fragment AC39729 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	45.295, 73.492, 52.830
Unit cell angles	90.00, 109.93, 90.00

Refinement procedure

Resolution	42.580 - 1.240
R-factor	0.1423
Rwork	0.141
R-free	0.16190
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]	42.580	1.280
High resolution limit [Å]	1.240	1.240
Rpim	0.021	0.448
Number of reflections	70862	4490
<I/σ(I)>	19.22	1.51
Completeness [%]	77.1
Redundancy	6.3
CC(1/2)	0.990	0.720

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