1MD2
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-11-30 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.9789 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.124, 66.176, 78.221 |
Unit cell angles | 90.00, 106.33, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.450 |
Rwork | 0.125 |
R-free | 0.16400 * |
Structure solution method | isomorphous to 3CHB |
Starting model (for MR) | 3chb |
RMSD bond length | 0.018 * |
RMSD bond angle | 0.035 |
Data reduction software | TRUNCATE |
Data scaling software | CCP4 ((TRUNCATE)) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.450 |
High resolution limit [Å] | 1.450 * | 1.450 * |
Rmerge | 0.048 * | 0.306 * |
Number of reflections | 81475 * | 5338 * |
<I/σ(I)> | 18 | 1.4 |
Completeness [%] | 92.0 * | 54 * |
Redundancy | 3 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | PEG 1000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature rtK |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5.0 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 100 (mM) | pH7.5 |
3 | 1 | drop | ligand 12 | 0.25 (mM) | |
4 | 1 | reservoir | 50 (mM) | ||
5 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
6 | 1 | reservoir | PEG1000 | 40 (%) |