4Y3J

Endothiapepsin in complex with fragment B30

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	2013-07-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 1 21 1
Unit cell lengths	45.216, 73.272, 52.787
Unit cell angles	90.00, 109.08, 90.00

Refinement procedure

Resolution	39.443 - 1.310
R-factor	0.129
Rwork	0.128
R-free	0.15830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.181
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.730	1.390
High resolution limit [Å]	1.310	1.310
Rmerge		0.560
Number of reflections	77955
<I/σ(I)>	9.99	2.24
Completeness [%]	99.4	97.9
Redundancy	3.72

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