4YCT

Endothiapepsin in complex with fragment 216

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.918410
Spacegroup name	P 1 21 1
Unit cell lengths	45.224, 72.957, 52.636
Unit cell angles	90.00, 109.53, 90.00

Refinement procedure

Resolution	34.742 - 1.130
R-factor	0.1391
Rwork	0.138
R-free	0.15680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pcw
RMSD bond length	0.006
RMSD bond angle	1.213
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (dev_1779)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.623	1.200
High resolution limit [Å]	1.130	1.130
Rmerge		0.451
Number of reflections	114817
<I/σ(I)>	17.4	3
Completeness [%]	95.4	88.5
Redundancy	4.1	3.8

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