7JU8
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-08-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9840 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.764, 35.987, 95.724 |
| Unit cell angles | 90.00, 130.55, 90.00 |
Refinement procedure
| Resolution | 72.740 - 2.000 |
| R-factor | 0.2012 |
| Rwork | 0.198 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xud |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.075 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.740 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.169 | 0.198 |
| Number of reflections | 24211 | 1637 |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% w/v PEG4000, 1 M ammonium formate, and 100 mM Tris, pH 8.0 |
