4NOM

Crystal structure of asparaginyl endopeptidase (AEP)/Legumain activated at pH 4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	57.952, 167.721, 51.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.623 - 2.006
R-factor	0.2063
Rwork	0.204
R-free	0.24280
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.042
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	32142
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2 M trimethylamine N-oxide dehydrate, 0.1 M Tris-HCl, pH 8.5, and 20% PEG 2,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K