4XLH

Tailspike protein double mutant D339A/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	CCD
Collection date	2012-11-20
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 3 2 1
Unit cell lengths	73.975, 73.975, 174.328
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.040 - 1.910
R-factor	0.1601
Rwork	0.157
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xm3
RMSD bond length	0.017
RMSD bond angle	1.674
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.040	43.040	1.950
High resolution limit [Å]	1.910	8.940	1.910
Rmerge	0.107	0.021	0.761
Rpim	0.051	0.011	0.368
Total number of observations	237608	2261	14046
Number of reflections	43960
<I/σ(I)>	14.1	49.4	2.1
Completeness [%]	99.6	98.1	94
Redundancy	5.4	4.5	5.1
CC(1/2)	0.998	1.000	0.652

Crystallization Conditions

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