2Y6C
The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | I 4 |
Unit cell lengths | 76.669, 76.669, 61.238 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.230 - 1.700 |
R-factor | 0.20359 |
Rwork | 0.202 |
R-free | 0.22932 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 1.289 |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 38.000 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.090 |
Number of reflections | 19064 |
Completeness [%] | 97.2 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |