3F15
Crystal structure of the catalytic domain of human mmp12 complexed with the inhibitor (S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OXFORD DIFFRACTION ENHANCED ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.557, 60.472, 53.859 |
| Unit cell angles | 90.00, 114.55, 90.00 |
Refinement procedure
| Resolution | 14.450 - 1.700 |
| R-factor | 0.17233 |
| Rwork | 0.171 |
| R-free | 0.19048 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.241 |
| 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] | 14.500 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.039 | 0.114 |
| Number of reflections | 15724 | |
| <I/σ(I)> | 23.1 | 8.1 |
| Completeness [%] | 94.5 | 65.1 |
| Redundancy | 3.8 | 1.6 |
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 |
