7BKW

Endothiapepsin structure obtained at 100K with fragment BTB09871 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	45.281, 73.727, 53.042
Unit cell angles	90.00, 109.74, 90.00

Refinement procedure

Resolution	42.620 - 1.430
R-factor	0.1543
Rwork	0.153
R-free	0.18140
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]	42.620	1.480
High resolution limit [Å]	1.430	1.430
Rpim	0.040	0.650
Number of reflections	57048	4235
<I/σ(I)>	12.68	1.22
Completeness [%]	94.7
Redundancy	6.9
CC(1/2)	0.990	0.540

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