5ZV7

P domain of GII.17-2014/15 complexed with B-trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	75.699, 86.851, 97.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.966 - 1.950
R-factor	0.2065
Rwork	0.205
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zus
RMSD bond length	0.007
RMSD bond angle	1.287
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.113	0.414
Number of reflections	47017
<I/σ(I)>	44.1	12.7
Completeness [%]	99.1	99.7
Redundancy	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	11% (w/v) polyethylene glycol (PEG) 3350, 4%(v/v) Tacsimate (pH7.0)