3RTS
Human MMP-12 catalytic domain in complex with*N*-Hydroxy-2-(2-phenylethylsulfonamido)acetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-15 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.643, 60.475, 54.162 |
| Unit cell angles | 90.00, 115.15, 90.00 |
Refinement procedure
| Resolution | 36.990 - 1.810 |
| R-factor | 0.17553 |
| Rwork | 0.170 |
| R-free | 0.23595 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.637 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.400 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.154 |
| Number of reflections | 12352 | |
| <I/σ(I)> | 12.2 | 5 |
| Completeness [%] | 99.0 | 92.2 |
| Redundancy | 6.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M Tris-HCl, 30% PEG6000, 1M LiCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
