7IEV

Crystal structure of Endothiapepsin in complex with fragment EOS102671 from ECBL-96

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	45.310, 73.460, 52.540
Unit cell angles	90.00, 109.35, 90.00

Refinement procedure

Resolution	42.750 - 1.250
R-factor	0.17007
Rwork	0.170
R-free	0.18941
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.701
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.750	3.730	1.320
High resolution limit [Å]	1.250	2.640	1.250
Rmerge	0.078	0.037	1.439
Rmeas	0.092	0.043	1.732
Total number of observations	297675
Number of reflections	88127	6053	13584
<I/σ(I)>	8.59	28.37	0.8
Completeness [%]	97.3
CC(1/2)	0.998	0.997	0.318

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	29 % (w/v) PEG 4000, 0.1 M ammonium acetate and 0.1 M sodium acetate, pH 4.6