3LK8
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor paramethoxy-sulfonyl-glycine hydroxamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-04 |
| Detector | OXFORD ONYX CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.708, 60.251, 54.144 |
| Unit cell angles | 90.00, 115.16, 90.00 |
Refinement procedure
| Resolution | 25.810 - 1.800 |
| R-factor | 0.17081 |
| Rwork | 0.168 |
| R-free | 0.19965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.202 |
| 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] | 25.810 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.034 | 0.057 |
| Number of reflections | 12682 | |
| <I/σ(I)> | 27.2 | 13.8 |
| Completeness [%] | 90.6 | 48.2 |
| Redundancy | 2.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.1 M Tris-HCl, 30% PEG 6000, 200 mM AHA, 1.0 M LiCl2 , pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
