6D2Y

Crystal structure of surface glycan-binding protein PbSGBP-B from Prevotella bryantii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	82.900, 82.900, 152.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.329 - 2.190
R-factor	0.2062
Rwork	0.204
R-free	0.24010
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.647
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2733: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.330	2.250
High resolution limit [Å]	2.190	2.190
Rmerge	0.082	1.575
Rpim	0.032	0.601
Number of reflections	28099	2035
<I/σ(I)>	20.2	2.2
Completeness [%]	99.7	99.7
Redundancy	14.3	14.8
CC(1/2)	0.999	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5		50 mM MES pH 6.5, 0.2 M ammonium sulfate, 30 % PEG 5K MME, 1% (w/v) MPD, 15 mg/mL protein