5UVQ

Scabin (W155A) toxin from Streptomyces scabies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-08
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	88.110, 60.800, 38.370
Unit cell angles	90.00, 99.36, 90.00

Refinement procedure

Resolution	37.860 - 1.600
Rwork	0.145
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5daz
RMSD bond length	0.011
RMSD bond angle	0.958
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.860	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.050	0.800
Number of reflections	26414	2615
<I/σ(I)>	16.21	1.65
Completeness [%]	100.0	100
Redundancy	4.5	4.4
CC(1/2)	1.000	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	15% PEG400, 0.1 M MES