6HQ8

Bacterial beta-1,3-oligosaccharide phosphorylase from GH149 with laminarihexaose bound at a surface site

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	99.129, 158.756, 178.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.410 - 2.250
R-factor	0.1817
Rwork	0.180
R-free	0.21730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6hq6
RMSD bond length	0.009
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.410	66.410	2.290
High resolution limit [Å]	2.250	12.320	2.250
Rmerge	0.132	0.028	2.024
Rmeas	0.138	0.029	2.103
Rpim	0.037	0.009	0.569
Total number of observations	1808389
Number of reflections	134201	938	6512
<I/σ(I)>	13.5
Completeness [%]	100.0	98.9	100
Redundancy	13.5	11.5	13.6
CC(1/2)	0.999	0.999	0.637

Crystallization Conditions

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