6FLU
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-22 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.8943 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 81.940, 81.940, 224.645 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.930 - 1.780 |
R-factor | 0.18599 |
Rwork | 0.184 |
R-free | 0.22218 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.712 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.930 | 1.870 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.242 | 1.325 |
Number of reflections | 85234 | 132122 |
<I/σ(I)> | 9 | 1.7 |
Completeness [%] | 100.0 | 99.5 |
Redundancy | 11 | 10.8 |
CC(1/2) | 0.991 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 4.7 M NaCl, 100 mM HEPES |