4H3O
Crystal structure of a new form of lectin from Allium sativum at 2.17 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2012-05-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.513, 57.234, 97.449 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.350 - 2.170 |
| R-factor | 0.20437 |
| Rwork | 0.203 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kj1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.091 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.350 | 2.210 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.067 | 0.134 |
| Number of reflections | 10285 | |
| <I/σ(I)> | 6.4 | 2.4 |
| Completeness [%] | 99.6 | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1M cadmium sulfate hydrate, 0.1M HEPES, 1.0M sodium chloride , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
