6RGW
Photorhabdus asymbiotica lectin PHL in complex with O-methylated PGL-1-derived disaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-23 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 80.893, 80.893, 113.642 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.480 - 1.750 |
R-factor | 0.18479 |
Rwork | 0.183 |
R-free | 0.20972 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mxe |
RMSD bond length | 0.005 |
RMSD bond angle | 1.270 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.6.02) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.130 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.073 | 1.128 |
Number of reflections | 44002 | 6338 |
<I/σ(I)> | 17 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.1 | 11.1 |
CC(1/2) | 0.999 | 0.723 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 4M NaCl, 100mM Hepes, pH 7.5 |