3QLQ
Crystal structure of Concanavalin A bound to an octa-alpha-mannosyl-octasilsesquioxane cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-05 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.890, 63.680, 125.800 |
| Unit cell angles | 90.00, 93.23, 90.00 |
Refinement procedure
| Resolution | 31.840 - 1.700 |
| R-factor | 0.21942 |
| Rwork | 0.218 |
| R-free | 0.24832 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1scr |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.986 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.840 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.076 | 0.657 |
| Number of reflections | 100001 | |
| <I/σ(I)> | 13.9 | 2.3 |
| Completeness [%] | 96.1 | 88 |
| Redundancy | 6.2 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 294.15 | 12% PEG 2K MME, 1mM Manganese Chloride, 1mM Calcium Chloride, 100mM HEPES pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K |
