4XQF

Tailspike protein mutant E372Q (delta D470/N471) 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	2012-11-08
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 3 2 1
Unit cell lengths	74.121, 74.121, 175.467
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.230 - 1.550
R-factor	0.1601
Rwork	0.159
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xor
RMSD bond length	0.018
RMSD bond angle	1.769
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.230	43.230	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.070	0.016	0.741
Rpim	0.032	0.007	0.360
Total number of observations	451172	2921	16800
Number of reflections	79824
<I/σ(I)>	17.9	62.3	2
Completeness [%]	97.4	98.7	88.6
Redundancy	5.7	5	4.7
CC(1/2)	0.999	1.000	0.783

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