6HQ6

Bacterial beta-1,3-oligosaccharide phosphorylase from GH149

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	100.239, 158.986, 181.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.490 - 2.050
R-factor	0.1834
Rwork	0.182
R-free	0.21090
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.234
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.490	79.490	2.090
High resolution limit [Å]	2.050	11.230	2.050
Rmerge	0.107	0.027	2.387
Rmeas	0.111	0.028	2.478
Rpim	0.030	0.008	0.661
Total number of observations	2447545
Number of reflections	181781	1258	8926
<I/σ(I)>	14.7
Completeness [%]	100.0	99.2	100
Redundancy	13.5	11.8	13.8
CC(1/2)	0.999	0.999	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	Null