5QBD

Crystal structure of Endothiapepsin-FRG166 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	45.223, 73.057, 52.792
Unit cell angles	90.00, 109.73, 90.00

Refinement procedure

Resolution	42.569 - 1.419
R-factor	0.145
Rwork	0.144
R-free	0.18100
Structure solution method	Rigid Body
RMSD bond length	0.005
RMSD bond angle	1.034
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.570	42.570	1.500
High resolution limit [Å]	1.420	4.240	1.420
Rmerge	0.091	0.046	0.798
Rmeas	0.106	0.054	0.926
Total number of observations	223503
Number of reflections	59376	2328	9291
<I/σ(I)>	8.29	20.89	1.73
Completeness [%]	97.1	98.3	94.2
CC(1/2)	0.995	0.994	0.605

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