6GH3

Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-man-1-phosphate bound

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	2016-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9800
Spacegroup name	P 41 21 2
Unit cell lengths	146.570, 146.570, 222.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.290 - 1.820
R-factor	0.1952
Rwork	0.194
R-free	0.21850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6ggy
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.290	73.290	1.850
High resolution limit [Å]	1.820	9.970	1.820
Rmerge	0.119	0.031	1.992
Rmeas	0.126	0.033	2.108
Rpim	0.041	0.011	0.680
Total number of observations	1928822
Number of reflections	215182	1525	10580
<I/σ(I)>	12.7
Completeness [%]	100.0	99.6	100
Redundancy	9	7.6	9.2
CC(1/2)	0.999	0.999	0.407

Crystallization Conditions

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