7IEY

Crystal structure of Endothiapepsin in complex with fragment EOS103107 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	45.300, 73.010, 52.560
Unit cell angles	90.00, 109.40, 90.00

Refinement procedure

Resolution	39.500 - 1.040
R-factor	0.1598
Rwork	0.160
R-free	0.17510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.877
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.500	3.110	1.100
High resolution limit [Å]	1.040	2.200	1.040
Rmerge	0.099	0.071	0.993
Rmeas	0.117	0.084	1.168
Total number of observations	495119
Number of reflections	141668	10079	21214
<I/σ(I)>	5.85	16.71	0.91
Completeness [%]	91.7
CC(1/2)	0.993	0.989	0.557

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