4XN0

Tailspike protein mutant E372A 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	2014-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 3 2 1
Unit cell lengths	74.342, 74.342, 174.898
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.720 - 1.750
R-factor	0.1533
Rwork	0.151
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xm3
RMSD bond length	0.018
RMSD bond angle	1.758
Data reduction software	XDS
Data scaling software	Aimless (0.2.17)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.720	43.720	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.084	0.037	0.563
Rpim	0.044	0.019	0.332
Total number of observations	247205	1991	11607
Number of reflections	57234
<I/σ(I)>	9.5	22.7	1.9
Completeness [%]	99.7	98.1	99.6
Redundancy	4.3	4.1	3.8
CC(1/2)	0.998	0.997	0.767

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