5QBH

Crystal structure of Endothiapepsin-FRG270 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	45.329, 73.227, 53.031
Unit cell angles	90.00, 109.56, 90.00

Refinement procedure

Resolution	42.712 - 1.469
R-factor	0.1323
Rwork	0.132
R-free	0.16600
Structure solution method	Rigid Body
RMSD bond length	0.005
RMSD bond angle	0.997
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.712	42.712	1.560
High resolution limit [Å]	1.470	4.390	1.470
Rmerge	0.056	0.018	0.565
Rmeas	0.066	0.021	0.692
Total number of observations	192534
Number of reflections	53365	2139	6875
<I/σ(I)>	16.01	60.58	1.79
Completeness [%]	95.7	99.1	76.4
CC(1/2)	0.999	0.999	0.658

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