4Y47

Endothiapepsin in complex with fragment 162

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-04
Detector	MAR CCD 165 mm
Wavelength(s)	0.89440
Spacegroup name	P 1 21 1
Unit cell lengths	45.285, 72.766, 52.630
Unit cell angles	90.00, 109.38, 90.00

Refinement procedure

Resolution	36.380 - 1.190
R-factor	0.1327
Rwork	0.132
R-free	0.15360
RMSD bond length	0.006
RMSD bond angle	1.222
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (dev_1779)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.720	1.260
High resolution limit [Å]	1.190	1.190
Rmerge		0.473
Number of reflections	102282
<I/σ(I)>	14.5	3.04
Completeness [%]	98.8	94.3
Redundancy	3.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	290	0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000, crystals obtained by streak-seeding