4XKV

Tailspike protein mutant D339N 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	73.917, 73.917, 174.502
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.050 - 2.100
R-factor	0.2296
Rwork	0.227
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xm3
RMSD bond length	0.005
RMSD bond angle	0.998
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]	43.050	43.050	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.080	0.054	0.202
Rpim	0.043	0.030	0.116
Total number of observations	92726	2190	5696
Number of reflections	26540
<I/σ(I)>	10.1	18.1	4.2
Completeness [%]	80.1	94.4	75.7
Redundancy	3.5	4.5	2.9
CC(1/2)	0.995	0.990	0.936

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