4YCK

Endothiapepsin in complex with fragment 211

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	2013-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 1 21 1
Unit cell lengths	45.311, 72.976, 52.806
Unit cell angles	90.00, 109.67, 90.00

Refinement procedure

Resolution	36.488 - 1.070
R-factor	0.1193
Rwork	0.118
R-free	0.13580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pcw
RMSD bond length	0.006
RMSD bond angle	1.221
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (dev_1779)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.670	1.130
High resolution limit [Å]	1.070	1.070
Rmerge		0.545
Number of reflections	137772
<I/σ(I)>	14.2	2.2
Completeness [%]	96.7	94
Redundancy	3.8	3.7

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