7IFC

Crystal structure of Endothiapepsin in complex with fragment EOS102550 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, 72.660, 52.600
Unit cell angles	90.00, 109.22, 90.00

Refinement procedure

Resolution	39.470 - 1.140
R-factor	0.1755
Rwork	0.175
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.896
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]	39.470	3.380	1.200
High resolution limit [Å]	1.130	2.390	1.130
Rmerge	0.111	0.050	1.400
Rmeas	0.134	0.061	1.695
Total number of observations	373134
Number of reflections	114634	7897	16230
<I/σ(I)>	6.69	21.94	0.98
Completeness [%]	95.3
CC(1/2)	0.995	0.994	0.389

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