9C4I
Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.977180 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.623, 41.981, 94.760 |
| Unit cell angles | 90.00, 102.72, 90.00 |
Refinement procedure
| Resolution | 43.420 - 1.300 |
| R-factor | 0.1733 |
| Rwork | 0.172 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.982 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.220 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.051 | 0.532 |
| Rmeas | 0.055 | 0.581 |
| Rpim | 0.021 | 0.228 |
| Number of reflections | 138969 | 19912 |
| <I/σ(I)> | 17.3 | 3.4 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 6.6 | 6.3 |
| CC(1/2) | 0.999 | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 200 mM ammonium sulfate, 100 mM HEPES pH 7.5, 25% PEG 3350 |
