6XT5

Jack bean asparaginyl endopeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.984
Spacegroup name	I 1 2 1
Unit cell lengths	106.989, 88.882, 109.848
Unit cell angles	90.00, 111.72, 90.00

Refinement procedure

Resolution	45.611 - 2.690
Rwork	0.196
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nij
RMSD bond length	0.004
RMSD bond angle	1.355
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.330	2.820
High resolution limit [Å]	2.690	2.690
Number of reflections	26353	3311
<I/σ(I)>	9.6
Completeness [%]	98.8
Redundancy	3.4
CC(1/2)	0.997	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	HEPES, PEG 20,000, EDTA disodium salt dihydrate