7IEP

Crystal structure of Endothiapepsin in complex with fragment EOS102639 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	45.270, 73.670, 52.540
Unit cell angles	90.00, 109.32, 90.00

Refinement procedure

Resolution	29.570 - 1.280
R-factor	0.1614
Rwork	0.161
R-free	0.18430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.849
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]	29.570	3.820	1.350
High resolution limit [Å]	1.280	2.710	1.280
Rmerge	0.084	0.035	1.518
Rmeas	0.100	0.041	1.807
Total number of observations	279457
Number of reflections	81304	5679	12499
<I/σ(I)>	8.51	30.24	0.7
Completeness [%]	96.5
CC(1/2)	0.998	0.998	0.330

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