4NOJ

Crystal structure of the mature form of asparaginyl endopeptidase (AEP)/Legumain activated at pH 3.5

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 21
Unit cell lengths	55.308, 59.579, 96.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.988 - 2.800
R-factor	0.2361
Rwork	0.233
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.992
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Number of reflections	8038
Completeness [%]	97.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	298	0.01 M zinc sulfate, 0.1 M MES, pH 6.7, and 23% PEG 500, VAPOR DIFFUSION, HANGING DROP, temperature 298K