4XL9

Tailspike protein mutant D339A of E. coli bacteriophage HK620

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	PIXEL
Collection date	2014-10-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 3 2 1
Unit cell lengths	73.495, 73.495, 174.472
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.930 - 2.020
R-factor	0.1901
Rwork	0.187
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xm3
RMSD bond length	0.008
RMSD bond angle	1.252
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.930	42.930	2.070
High resolution limit [Å]	2.020	9.030	2.020
Rmerge	0.105	0.037	0.307
Rpim	0.056	0.017	0.202
Total number of observations	136596	2321	4958
Number of reflections	35142
<I/σ(I)>	8	17.6	2
Completeness [%]	95.8	98.7	76.3
Redundancy	3.9	4.8	2.4
CC(1/2)	0.993	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M Tris-HCl, 3.5 M Sodiumformiate