3EWJ
Crystal structure of catalytic domain of TACE with carboxylate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.398, 76.176, 103.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.860 - 1.800 |
| R-factor | 0.1813 |
| Rwork | 0.181 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fv9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.061 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.046 | 0.326 |
| Number of reflections | 51745 | |
| <I/σ(I)> | 2413 | 3.1 |
| Completeness [%] | 97.9 | 5 |
| Redundancy | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K, VAPOR DIFFUSION, HANGING DROP |
