4Y3G

Endothiapepsin in complex with fragment 285

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	2013-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	45.332, 73.052, 52.758
Unit cell angles	90.00, 109.53, 90.00

Refinement procedure

Resolution	19.800 - 1.130
R-factor	0.1642
Rwork	0.163
R-free	0.18370
RMSD bond length	0.007
RMSD bond angle	1.211
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (dev_1779)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	1.200
High resolution limit [Å]	1.130	1.130
Rmerge		0.475
Number of reflections	117892
<I/σ(I)>	11.2	2.5
Completeness [%]	97.5	94.3
Redundancy	3.7	3.6

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