4XLC
Tailspike protein double mutant D339N/E372A 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 | 74.176, 74.176, 174.695 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.670 - 1.850 |
R-factor | 0.1505 |
Rwork | 0.148 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4avz |
RMSD bond length | 0.017 |
RMSD bond angle | 1.781 |
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] | 43.670 | 43.670 | 1.890 |
High resolution limit [Å] | 1.850 | 9.070 | 1.850 |
Rmerge | 0.101 | 0.021 | 0.859 |
Rpim | 0.044 | 0.010 | 0.382 |
Total number of observations | 292708 | 2378 | 16414 |
Number of reflections | 48154 | ||
<I/σ(I)> | 15.7 | 51.3 | 2 |
Completeness [%] | 99.6 | 98.5 | 94.5 |
Redundancy | 6.1 | 4.9 | 5.9 |
CC(1/2) | 0.999 | 1.000 | 0.665 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris-HCl, 3.5 M Sodiumformate |