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 |