6AZT

Asparaginyl endopeptidase 1 bound to AAN peptide, a tetrahedral intermediate

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	CCD
Collection date	2016-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	77.030, 77.030, 108.171
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.710 - 1.800
R-factor	0.154
Rwork	0.152
R-free	0.18900
RMSD bond length	0.018
RMSD bond angle	1.837
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	66.710
High resolution limit [Å]	1.800
Number of reflections	31205
<I/σ(I)>	14.7
Completeness [%]	93.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1 M HEPES (pH 7.5), 1.4 M sodium citrate tribasic dihydrate