7MGA
Concanavalin A bound to a DNA glycoconjugate, Man-AAATTT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-21 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 65.090, 77.780, 126.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.900 - 2.000 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.623 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.900 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.107 | 0.700 |
| Number of reflections | 37677 | 5282 |
| <I/σ(I)> | 4.6593 | |
| Completeness [%] | 90.1 | 83.4 |
| Redundancy | 3.16 | 3.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Sitting drop comprising 1 uL of Concanavalin A (32 uM) and Man-AAATTT (64 uM) + 1 uL crystallization condition (Helix screen, condition A3: 0.1 M sodium chloride, 0.05 M lithium chloride, 0.01 M magnesium chloride hexahydrate, 0.05 M MES (pH 6.5), 25% v/v PEG 400). Reservoir contained 70 uL of crystallization condition |
