6F5W
Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside
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 | PIXEL |
Collection date | 2017-01-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 80.571, 80.571, 224.799 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.960 - 1.910 |
R-factor | 0.17479 |
Rwork | 0.173 |
R-free | 0.21288 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mxe |
RMSD bond length | 0.011 |
RMSD bond angle | 1.431 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.4.03) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.960 | 2.010 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.206 | 1.319 |
Rmeas | 0.216 | |
Rpim | 0.065 | 0.428 |
Number of reflections | 63648 | 9584 |
<I/σ(I)> | 9.4 | 1.8 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 10.9 | 10.2 |
CC(1/2) | 0.996 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 5M NaCl, 100 mM HEPES |