5DUY
Structure of lectin from the sea mussel Crenomytilus grayanus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-10 |
| Detector | RAYONIX MX300HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.289, 68.337, 131.694 |
| Unit cell angles | 90.00, 110.55, 90.00 |
Refinement procedure
| Resolution | 38.000 - 2.120 |
| R-factor | 0.14072 |
| Rwork | 0.139 |
| R-free | 0.18422 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Model was an electron density calculated for the assembly of 39 homologous structures |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.632 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.070 | 0.421 |
| Number of reflections | 63465 | |
| <I/σ(I)> | 21.2 | 3.9 |
| Completeness [%] | 97.7 | 80.2 |
| Redundancy | 5.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M HEPES pH 7.0, 18% (w/v) PEG4000, 0.1 M SODIUM ACETATE, 0.1 M LITHIUM SUFFATE |
