7IEU

Crystal structure of Endothiapepsin in complex with fragment EOS102483 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	45.280, 73.370, 52.310
Unit cell angles	90.00, 109.34, 90.00

Refinement procedure

Resolution	40.950 - 1.180
R-factor	0.158
Rwork	0.158
R-free	0.17520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.902
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]	40.950	3.530	1.250
High resolution limit [Å]	1.180	2.500	1.180
Rmerge	0.062	0.023	1.217
Rmeas	0.073	0.027	1.439
Total number of observations	346618
Number of reflections	99304	7054	15456
<I/σ(I)>	11.9	45.22	0.98
Completeness [%]	93.6
CC(1/2)	0.999	0.999	0.390

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