2XC1

Full-length Tailspike Protein Mutant Y108W of Bacteriophage P22

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	2008-02-28
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	86.358, 121.558, 208.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.450 - 1.650
R-factor	0.16756
Rwork	0.165
R-free	0.21038
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2VNL AND 2VFM
RMSD bond length	0.012
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0055)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	1.850
High resolution limit [Å]	1.650	1.650
Rmerge	0.100	0.450
Number of reflections	237282
<I/σ(I)>	12.5	2.3
Completeness [%]	90.4	68.3
Redundancy	6.3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	PROTEIN- 15MG/ML IN 10MM HEPES PH7;RESERVOIR:750 ML 0.2M AMMONIUM ACETATE,0.1M TRI-SODIUM CITRATE DIHYDRATE PH 5.6, 30% W/V POLYETHYLENE GLYCOL 4000; HANGING DROPS:1.5MICROL RESERVOIR- 1.5MICROL PROTEIN SOLUTION; TEMPERATURE: 19 DEGR.; CRYO: 3% GLYCEROL