3O64
Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-02-13 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9766 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.446, 76.508, 103.866 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.500 - 1.880 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bkc |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | BUSTER (2.9.4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.950 |
High resolution limit [Å] | 1.880 | 4.040 | 1.880 |
Rmerge | 0.106 | 0.080 | 0.614 |
Number of reflections | 48857 | ||
<I/σ(I)> | 9.5 | 16.2 | 2.8 |
Completeness [%] | 99.5 | 97.6 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 295 | 15% PEG 6K, 10% 2-Propanol, 100mM Sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, temperature 295K |