5QBJ

Crystal structure of Endothiapepsin-FRG283 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	45.065, 72.905, 52.263
Unit cell angles	90.00, 108.78, 90.00

Refinement procedure

Resolution	42.665 - 1.699
R-factor	0.1624
Rwork	0.161
R-free	0.20310
Structure solution method	Rigid Body
RMSD bond length	0.006
RMSD bond angle	0.995
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.666	42.666	1.800
High resolution limit [Å]	1.700	5.070	1.700
Rmerge	0.097	0.029	0.784
Rmeas	0.113	0.035	0.911
Total number of observations	132019
Number of reflections	34645	1357	5518
<I/σ(I)>	10.46	32.38	1.82
Completeness [%]	97.9	98.3	96.2
CC(1/2)	0.997	0.999	0.636

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