7IF8

Crystal structure of Endothiapepsin in complex with fragment EOS102857 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	45.480, 73.210, 52.640
Unit cell angles	90.00, 109.44, 90.00

Refinement procedure

Resolution	34.850 - 1.310
R-factor	0.1579
Rwork	0.157
R-free	0.17360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
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]	34.850	3.900	1.390
High resolution limit [Å]	1.310	2.770	1.310
Rmerge	0.084	0.038	1.244
Rmeas	0.099	0.045	1.477
Total number of observations	260823
Number of reflections	76792	5274	12064
<I/σ(I)>	8.37	27.08	0.9
Completeness [%]	97.5
CC(1/2)	0.998	0.997	0.370

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