2X6W

Tailspike protein mutant E372Q 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	MARRESEARCH
Spacegroup name	P 3 2 1
Unit cell lengths	74.530, 74.530, 174.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.440 - 1.350
R-factor	0.1242
Rwork	0.123
R-free	0.15565
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vji
RMSD bond length	0.011
RMSD bond angle	1.452
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0108)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.440	1.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.050	0.340
Number of reflections	114674
<I/σ(I)>	16.2	3
Completeness [%]	98.0	71.5
Redundancy	3.7	2.6

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, PH7.8,2 MM EDTA,0.2M NACL.RERVOIR: 100MM TRIS PH8.5,3.5 MNA-FORMIATE. DROPLET 1.5:1.5 MICRO LITER. 0.3 MICRO LITER 33MM HEXASACCHARIDE.TEMPERATURE 20 DEGREE CELSIUS.