7MG8
Concanavalin A bound to a DNA glycoconjugate, Man-CGCG
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 | 2019-10-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 66.419, 69.920, 125.869 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.920 - 3.000 |
| R-factor | 0.23605 |
| Rwork | 0.233 |
| R-free | 0.28446 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.593 |
| 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] | 69.920 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.197 | 0.660 |
| Rmeas | 0.209 | 0.693 |
| Number of reflections | 11395 | 1755 |
| <I/σ(I)> | 2.5272 | |
| Completeness [%] | 98.2 | 99.97 |
| Redundancy | 9.35 | 10.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | Sitting drop comprising 1 uL of Concanavalin A (80 uM) and Man-CGCG (160 uM) + 1 uL crystallization condition (Helix screen, condition D9: 0.05 M bis-Tris (pH 7), 2 M ammonium sulfate, 5% v/v PEG 400). Reservoir contained 70 uL of crystallization condition |
