4XM3
Tailspike protein mutant E372A 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 | 74.354, 74.354, 175.187 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.260 - 1.270 |
R-factor | 0.1358 |
Rwork | 0.134 |
R-free | 0.16970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4avz |
RMSD bond length | 0.020 |
RMSD bond angle | 1.918 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.260 | 1.350 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.083 | 0.851 |
Number of reflections | 148637 | |
<I/σ(I)> | 17.28 | 2.65 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 7.54 |
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 |