3NX7
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-Hydroxy-2-(N-(2-hydroxyethyl)4-methoxyphenylsulfonamido)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 | 2005-05-12 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.316, 60.400, 53.719 |
| Unit cell angles | 90.00, 114.50, 90.00 |
Refinement procedure
| Resolution | 30.210 - 1.800 |
| R-factor | 0.1656 |
| Rwork | 0.162 |
| R-free | 0.19997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.305 |
| 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] | 30.210 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.043 | |
| Number of reflections | 13172 | |
| <I/σ(I)> | 19.3 | 7.8 |
| Completeness [%] | 95.0 | 68.4 |
| Redundancy | 3.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M TRIS, 30% PEG 6000, PH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
