4WK7
Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-17 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.506, 67.923, 74.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.720 - 1.240 |
R-factor | 0.1965 |
Rwork | 0.196 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.121 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 13.720 |
High resolution limit [Å] | 1.170 |
Number of reflections | 66843 |
<I/σ(I)> | 8.9 |
Completeness [%] | 96.1 |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 3350, Bis-Tris |