6D3Z

Protease SFTI complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-29
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 63
Unit cell lengths	121.928, 121.928, 40.548
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.910 - 2.000
R-factor	0.1686
Rwork	0.167
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 5UGG & 1SFI
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.593	40.548	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.058	1.349
Rmeas	0.284	0.060	1.383
Rpim	0.062	0.013	0.303
Total number of observations	501103	15899	72026
Number of reflections	23643	807	3433
<I/σ(I)>	11.2	24.4	3.1
Completeness [%]	100.0	99.8	100
Redundancy	21.2	19.7	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.1 M sodium acetate, 1 M sodium formate