7MG4
Concanavalin A crystallized in the presence of Gal-ATAT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-07-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9786 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 61.630, 86.030, 89.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.930 - 2.000 |
R-factor | 0.182 |
Rwork | 0.179 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jbc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.566 |
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] | 61.930 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.114 | 0.450 |
Number of reflections | 14558 | 1983 |
<I/σ(I)> | 3.0684 | |
Completeness [%] | 93.4 | 84.7 |
Redundancy | 7.66 | 7.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Sitting drop comprising 1 uL of Concanavalin A (32 uM) and Gal-ATAT (128 uM) + 1 uL crystallization condition (Helix screen, condition H9: 0.1 M potassium chloride, 0.002 M spermine tetrahydrochloride, 0.05 M bis-Tris (pH 7.5), 7% w/v PEG 8000). Reservoir contained 70 uL of crystallization condition. |