8QAK

Dispersin from Terribacillus saccharophilus DispTs3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	50.948, 109.352, 131.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.970 - 1.950
Rwork	0.189
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.914
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.970	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.146	1.401
Rmeas	0.183	1.758
Rpim	0.108	1.047
Number of reflections	54127	3734
<I/σ(I)>	7.3	1
Completeness [%]	99.8
Redundancy	4.9	4.8
CC(1/2)	0.994	0.341

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Morpheus B3, 0.09 M Halogens, 30% glycerol/PEG4000 mix, from Microseed matrix screening