1DT2
CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-12-04 |
Detector | MARRESEARCH |
Spacegroup name | I 41 |
Unit cell lengths | 114.248, 114.248, 96.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
Rwork | 0.224 |
R-free | 0.25100 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.450 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.083 | 0.423 |
Total number of observations | 66486 * | |
Number of reflections | 13063 | |
<I/σ(I)> | 11.2 | |
Completeness [%] | 85.0 * | 69 * |
Redundancy | 5.1 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 | 16 * | NaFormate-no pH adjusted, so the pH should be around 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | sodium formate | 3.5 (M) |