8WMK
Structure of ConA/Man2
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 | 2023-09-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.715, 113.841, 83.206 |
| Unit cell angles | 90.00, 128.14, 90.00 |
Refinement procedure
| Resolution | 71.830 - 2.170 |
| R-factor | 0.2298 |
| Rwork | 0.228 |
| R-free | 0.26721 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.567 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.830 | 2.290 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.170 | 1.095 |
| Rmeas | 0.194 | 0.251 |
| Rpim | 0.092 | 0.595 |
| Total number of observations | 196533 | |
| Number of reflections | 45376 | 6599 |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.985 | 0.496 |
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 = 7.2, precipitant: Ammonium phosphate |
