7IER

Crystal structure of Endothiapepsin in complex with fragment EOS102887 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	45.340, 73.230, 52.580
Unit cell angles	90.00, 109.11, 90.00

Refinement procedure

Resolution	29.480 - 1.290
R-factor	0.1525
Rwork	0.152
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.886
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]	29.480	3.870	1.370
High resolution limit [Å]	1.290	2.740	1.290
Rmerge	0.070	0.036	0.954
Rmeas	0.084	0.042	1.142
Total number of observations	263475
Number of reflections	78271	5429	12054
<I/σ(I)>	9.41	28.37	1.17
Completeness [%]	96.9
CC(1/2)	0.998	0.997	0.440

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