3F17
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)biphenyl-4-sulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.91677 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.636, 60.250, 54.220 |
| Unit cell angles | 90.00, 115.44, 90.00 |
Refinement procedure
| Resolution | 19.590 - 1.100 |
| R-factor | 0.17099 |
| Rwork | 0.170 |
| R-free | 0.18096 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.468 |
| 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] | 20.000 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.061 | 0.084 |
| Number of reflections | 52343 | |
| <I/σ(I)> | 16.1 | 7.5 |
| Completeness [%] | 86.5 | 49.1 |
| Redundancy | 3.4 | 2.4 |
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 |
