3RTT
Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-16 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.487, 60.431, 54.207 |
| Unit cell angles | 90.00, 115.21, 90.00 |
Refinement procedure
| Resolution | 30.200 - 1.820 |
| R-factor | 0.24152 |
| Rwork | 0.234 |
| R-free | 0.31676 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.976 |
| 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] | 30.200 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.093 | 0.267 |
| Number of reflections | 11689 | |
| <I/σ(I)> | 7 | 2.8 |
| Completeness [%] | 96.6 | 84.5 |
| Redundancy | 6.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M Tris-HCl, 30% PEG6000, 1 M LiCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
