3EHY
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(4-methoxyphenylsulfonamido)propanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-01 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.256, 60.479, 54.598 |
| Unit cell angles | 90.00, 116.17, 90.00 |
Refinement procedure
| Resolution | 30.230 - 1.900 |
| R-factor | 0.15935 |
| Rwork | 0.155 |
| R-free | 0.20418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.626 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.234 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.084 | 0.224 |
| Number of reflections | 11191 | |
| <I/σ(I)> | 8.7 | 6.3 |
| Completeness [%] | 94.7 | 81.4 |
| Redundancy | 6.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M TRIS, 30% PEG 8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
