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 |