3B8Z
High Resolution Crystal Structure of the Catalytic Domain of ADAMTS-5 (Aggrecanase-2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.057, 44.487, 76.380 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 26.530 - 1.400 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.257 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
| Rmerge | 0.049 | 0.030 | 0.410 |
| Number of reflections | 67485 | ||
| <I/σ(I)> | 10 | ||
| Completeness [%] | 95.9 | 98.3 | 88.9 |
| Redundancy | 3.6 | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | PEG 3350, ammonium acetate, pH 8.5, vapor diffusion, temperature 298K |
