5NOK

Polysaccharide Lyase BACCELL_00875

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	116.730, 116.730, 228.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.480 - 2.240
R-factor	0.19768
Rwork	0.195
R-free	0.24925
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.480	2.290
High resolution limit [Å]	2.240	2.240
Rmerge	0.013	0.320
Number of reflections	76640
<I/σ(I)>	10.6
Completeness [%]	100.0
Redundancy	43.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG1500, 0.1 M MMT buffer, pH 4.0