2X85

Tailspike protein of E. coli bacteriophage HK620 in complex with hexasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-02
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 3 2 1
Unit cell lengths	74.250, 74.250, 174.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.130 - 1.500
R-factor	0.16659
Rwork	0.165
R-free	0.19825
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vji
RMSD bond length	0.010
RMSD bond angle	1.330
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.310	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.050	0.240
Number of reflections	77347
<I/σ(I)>	18.2	4.8
Completeness [%]	90.4	66
Redundancy	4.1	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	VAPOR DIFFUSION, HANGING DROP: PROTEIN CONCENTRATION 8MG/ML. BUFFER: 40MM TRIS, PH7.8, 2MM EDTA, 0.2M NACL. RESERVOIR: 100MM TRIS PH8.5, 3.5M NA-FORMIATE. DROPLET 1.5:1.5 MICROLITER, 0.3 MICROLITER 33MM HEXASACCHARIDE. TEMPERATURE 20 DEGREE CELSIUS.