5QBE

Crystal structure of Endothiapepsin-FRG175 complex

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	2014-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	44.892, 72.708, 52.032
Unit cell angles	90.00, 108.69, 90.00

Refinement procedure

Resolution	42.525 - 1.498
R-factor	0.1384
Rwork	0.138
R-free	0.17560
Structure solution method	Rigid Body
RMSD bond length	0.006
RMSD bond angle	1.002
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.526	42.526	1.590
High resolution limit [Å]	1.500	4.470	1.500
Rmerge	0.063	0.018	0.675
Rmeas	0.073	0.021	0.787
Total number of observations	188854
Number of reflections	50647	1957	8031
<I/σ(I)>	14.5	57.06	1.93
Completeness [%]	99.4	99.1	98.1
CC(1/2)	0.999	0.999	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding