3HY9
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 | 2007-04-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.692, 44.444, 76.458 |
Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
Resolution | 31.020 - 2.020 |
R-factor | 0.16321 |
Rwork | 0.159 |
R-free | 0.23793 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3b8z |
RMSD bond length | 0.010 |
RMSD bond angle | 1.354 |
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 | 2.090 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.044 | 0.098 |
Number of reflections | 23451 | |
<I/σ(I)> | 29.1 | 7.8 |
Completeness [%] | 99.8 | 98.2 |
Redundancy | 3.6 | 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 |