4Z4Y

Crystal structure of GII.10 P domain in complex with 7.5mM B antigen (trisaccharide)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.984463
Spacegroup name	P 1 21 1
Unit cell lengths	65.123, 78.671, 69.775
Unit cell angles	90.00, 100.36, 90.00

Refinement procedure

Resolution	43.200 - 1.797
R-factor	0.1474
Rwork	0.145
R-free	0.18340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onu
RMSD bond length	0.010
RMSD bond angle	1.243
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.200	1.861
High resolution limit [Å]	1.797	1.797
Rmerge	0.048
Number of reflections	63976
<I/σ(I)>	18	6.12
Completeness [%]	99.1	95.54
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	sodium nitrate, bis-tris propane, PEG3350