5QB5

Crystal structure of Endothiapepsin-FRG056 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	45.241, 73.115, 52.910
Unit cell angles	90.00, 109.53, 90.00

Refinement procedure

Resolution	42.639 - 1.200
R-factor	0.1442
Rwork	0.144
R-free	0.17840
Structure solution method	MR
RMSD bond length	0.005
RMSD bond angle	1.061
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.638	42.638	1.270
High resolution limit [Å]	1.200	3.590	1.200
Rmerge	0.048	0.016	0.734
Rmeas	0.056	0.019	0.849
Total number of observations	374550
Number of reflections	97077	3828	15198
<I/σ(I)>	15.17	65.27	1.77
Completeness [%]	95.8	98.4	93
CC(1/2)	0.999	0.999	0.628

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