4XKW
Tailspike protein mutant D339N of E. coli bacteriophage HK620 in complex with pentasaccharide
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 | 74.202, 74.202, 174.324 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.130 - 1.450 |
R-factor | 0.1631 |
Rwork | 0.162 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xm3 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.821 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.580 | 43.580 | 1.470 |
High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
Rmerge | 0.067 | 0.019 | 0.673 |
Rpim | 0.031 | 0.009 | 0.340 |
Total number of observations | 494631 | 3569 | 17507 |
Number of reflections | 96053 | ||
<I/σ(I)> | 15.2 | 44.4 | 2 |
Completeness [%] | 96.7 | 98.7 | 88.6 |
Redundancy | 5.1 | 5 | 4.1 |
CC(1/2) | 0.999 | 0.999 | 0.674 |
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 |