5QBI

Crystal structure of Endothiapepsin-FRG274 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	45.239, 72.943, 52.706
Unit cell angles	90.00, 109.14, 90.00

Refinement procedure

Resolution	42.739 - 1.624
R-factor	0.1745
Rwork	0.174
R-free	0.19990
Structure solution method	MR
RMSD bond length	0.006
RMSD bond angle	1.043
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.738	42.738	1.720
High resolution limit [Å]	1.620	4.840	1.620
Rmerge	0.115	0.054	0.732
Rmeas	0.134	0.064	0.852
Total number of observations	149854
Number of reflections	39747	1575	6107
<I/σ(I)>	8.5	23.1	1.84
Completeness [%]	97.2	98.7	92.8
CC(1/2)	0.995	0.994	0.748

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