5MXG
Photorhabdus asymbiotica lectin (PHL) in complex with blood group H trisaccharide
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 | 2015-10-21 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.895 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 80.309, 80.309, 112.973 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.850 - 2.200 |
| R-factor | 0.18732 |
| Rwork | 0.185 |
| R-free | 0.22842 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mxe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.511 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.850 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.085 | 0.742 |
| Number of reflections | 21984 | 3157 |
| <I/σ(I)> | 23.8 | 3.8 |
| Completeness [%] | 100.0 | 98 |
| Redundancy | 12.4 | 12.5 |
| CC(1/2) | 0.999 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 3.7-4.3 M NaCl, 100 mM Hepes pH 7.5 |
