5U38
Crystal structure of native lectin from Platypodium elegans seeds (PELa) complexed with Man1-3Man-OMe.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.42 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.240, 87.510, 120.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.620 - 1.600 |
| R-factor | 0.1851 |
| Rwork | 0.184 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zvx |
| RMSD bond length | 0.031 |
| RMSD bond angle | 0.856 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.620 | 26.620 | 1.690 |
| High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
| Rmerge | 0.123 | 0.048 | 0.435 |
| Rmeas | 0.136 | ||
| Rpim | 0.056 | ||
| Total number of observations | 201256 | ||
| Number of reflections | 37353 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 99.8 | 99.4 | 99.8 |
| Redundancy | 5.4 | 6.1 | 3.7 |
| CC(1/2) | 0.992 | 0.997 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.9 | 293 | 100 mM Bicine pH 8.9 10% PEG 20000 3% 1,4-dioxane |
