3HYG
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol 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 | 2007-06-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.818, 44.491, 76.655 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 26.410 - 1.400 |
| R-factor | 0.18236 |
| Rwork | 0.181 |
| R-free | 0.21030 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | protein code 3B8Z |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.375 |
| 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] | 30.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 70056 | |
| <I/σ(I)> | 24.1 | 3.3 |
| Completeness [%] | 99.5 | 97.3 |
| Redundancy | 3.6 | 3.3 |
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 |
