3KEC
Crystal Structure of Human MMP-13 complexed with a phenyl-2H-tetrazole compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2001-09-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 133.209, 72.348, 36.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.17033 |
| Rwork | 0.169 |
| R-free | 0.20357 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.067 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.067 | 0.136 |
| Number of reflections | 19429 | |
| <I/σ(I)> | 13.4 | 5.8 |
| Completeness [%] | 100.0 | 88 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | Protein: 5.5 mg/ml MMP-13 with 200 uM surrogate inhibitor in 20mM Tris pH 8.5 and 5 mM CaCl2 reservoir: 1.1-1.6M Li2SO4 in 0.1M Hepes pH 7.4-8.2 drop ratio: 5ul protein + 1 ul reservoir, Vapor diffusion, sitting drop, temperature 277K |
