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 |