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 |