6GGY

Paenibacillus sp. YM1 laminaribiose phosphorylase with sulphate bound

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	2016-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	146.704, 146.704, 222.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.740 - 1.950
R-factor	0.2027
Rwork	0.202
R-free	0.22320
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	CRANK2
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.740	103.740	1.980
High resolution limit [Å]	1.950	10.680	1.950
Rmerge	0.210	0.037	1.913
Rmeas	0.216	0.039	1.966
Rpim	0.050	0.010	0.448
Total number of observations	3267901
Number of reflections	176355	1266	8640
<I/σ(I)>	13
Completeness [%]	100.0	99.9	100
Redundancy	18.5	15.1	18.8
CC(1/2)	0.998	0.999	0.696

Crystallization Conditions

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