3EHX
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic 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 | 51.181, 60.554, 54.428 |
| Unit cell angles | 90.00, 115.90, 90.00 |
Refinement procedure
| Resolution | 30.275 - 1.900 |
| R-factor | 0.16624 |
| Rwork | 0.163 |
| R-free | 0.20083 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.613 |
| 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] | 30.275 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.064 | 0.169 |
| Number of reflections | 11585 | |
| <I/σ(I)> | 11.2 | 9.1 |
| Completeness [%] | 98.0 | 91.3 |
| Redundancy | 6.5 | 3.4 |
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 |
