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 |