8WMG
Structure of ConA/Man3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-09-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 111.928, 117.486, 131.864 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.020 - 1.970 |
| R-factor | 0.18936 |
| Rwork | 0.188 |
| R-free | 0.21162 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.783 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.040 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.142 | 0.940 |
| Rmeas | 0.150 | 0.993 |
| Rpim | 0.047 | 0.315 |
| Number of reflections | 60702 | 8918 |
| <I/σ(I)> | 11.2 | 2.7 |
| Completeness [%] | 98.5 | 100 |
| Redundancy | 9.8 | 9.5 |
| CC(1/2) | 0.998 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | buffer: 20 mM HEPES, 5 mM CaCl2, 5 mM MnCl2, pH = 7.5, Precipitant: 200 mM Ammonium phosphate |
