4YEL

Tailspike protein double mutant D339A/E372A of E. coli bacteriophage HK620 in complex with hexasaccharide

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	2012-11-06
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 3 2 1
Unit cell lengths	74.360, 74.360, 174.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.670 - 1.720
R-factor	0.1368
Rwork	0.135
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4avz
RMSD bond length	0.018
RMSD bond angle	1.764
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.670	43.670	1.750
High resolution limit [Å]	1.720	9.100	1.720
Rmerge	0.093	0.018	0.763
Rpim	0.041	0.009	0.345
Total number of observations	364165	2362	17595
Number of reflections	60326
<I/σ(I)>	17.9	61.5	2.3
Completeness [%]	99.9	98.1	97.6
Redundancy	6	4.9	5.8
CC(1/2)	0.999	1.000	0.729

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