3G42
Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.846, 51.330, 132.741 |
| Unit cell angles | 90.00, 102.64, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| Rwork | 0.218 |
| R-free | 0.25670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zxc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.292 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.048 | 0.162 |
| Number of reflections | 62447 | |
| <I/σ(I)> | 8.13 | |
| Completeness [%] | 98.5 | 98.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 292 | PEG4k, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
