7IFH

Crystal structure of Endothiapepsin in complex with fragment EOS103296 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, 73.000, 52.540
Unit cell angles	90.00, 109.16, 90.00

Refinement procedure

Resolution	29.400 - 1.030
R-factor	0.1621
Rwork	0.162
R-free	0.17460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.870
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]	29.400	3.080	1.090
High resolution limit [Å]	1.030	2.180	1.030
Rmerge	0.066	0.035	1.157
Rmeas	0.078	0.042	1.384
Total number of observations	507644
Number of reflections	152182	10686	23143
<I/σ(I)>	8.66	30.36	0.85
Completeness [%]	95.6
CC(1/2)	0.998	0.998	0.458

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