5QBB

Crystal structure of Endothiapepsin-FRG140 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	45.325, 73.215, 52.906
Unit cell angles	90.00, 109.49, 90.00

Refinement procedure

Resolution	42.727 - 1.759
R-factor	0.1581
Rwork	0.157
R-free	0.18410
Structure solution method	Rigid Body
RMSD bond length	0.006
RMSD bond angle	1.005
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.727	42.727	1.870
High resolution limit [Å]	1.760	5.240	1.760
Rmerge	0.131	0.036	0.786
Rmeas	0.153	0.043	0.923
Total number of observations	122181
Number of reflections	32326	1262	5157
<I/σ(I)>	8.78	29.41	1.59
Completeness [%]	99.6	99.1	99.2
CC(1/2)	0.994	0.998	0.588

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