3LJT
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 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-30 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.398, 44.518, 76.251 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.120 - 1.600 |
R-factor | 0.16137 |
Rwork | 0.159 |
R-free | 0.19838 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3b8z |
RMSD bond length | 0.011 |
RMSD bond angle | 1.442 |
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 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 20120 | |
<I/σ(I)> | 17.6 | 2.2 |
Completeness [%] | 96.0 | 65.8 |
Redundancy | 5.2 | 2.8 |
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 |