3HY7
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with Marimastat
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 | 2007-04-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.606, 44.464, 76.349 |
| Unit cell angles | 90.00, 89.81, 90.00 |
Refinement procedure
| Resolution | 26.310 - 1.690 |
| R-factor | 0.17598 |
| Rwork | 0.173 |
| R-free | 0.22385 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3b8z |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.229 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.350 |
| Number of reflections | 38276 | |
| <I/σ(I)> | 19.4 | 2.3 |
| Completeness [%] | 96.9 | 83.3 |
| Redundancy | 3.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 25% PEG 3350, 200 mM ammonium acetate, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
