4NOK

Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	57.081, 168.908, 49.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.973 - 2.500
R-factor	0.2047
Rwork	0.202
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.776
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]	2.490
Number of reflections	17063
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2 M succinic acid, pH 7.0, and 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K