6W0P

Putative kojibiose phosphorylase from human microbiome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	64.215, 200.451, 293.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.440 - 2.230
R-factor	0.2034
Rwork	0.200
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h54
RMSD bond length	0.007
RMSD bond angle	1.453
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	49.440	2.270
High resolution limit [Å]	2.230	6.050	2.230
Rmerge	0.092	0.039	0.665
Rmeas	0.101	0.043	0.734
Rpim	0.041	0.017	0.304
Number of reflections	171175	9756	7804
<I/σ(I)>	6.4
Completeness [%]	92.7	99	85.8
Redundancy	5.9	6.4	5.5
CC(1/2)		0.999	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	9% PEG 3350, 0.1 M sodium malonate, 0.01 calcium chloride