7JU8
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2008-08-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9840 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 135.764, 35.987, 95.724 |
Unit cell angles | 90.00, 130.55, 90.00 |
Refinement procedure
Resolution | 72.740 - 2.000 |
R-factor | 0.2012 |
Rwork | 0.198 |
R-free | 0.26420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xud |
RMSD bond length | 0.008 |
RMSD bond angle | 1.075 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.740 | 2.080 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.169 | 0.198 |
Number of reflections | 24211 | 1637 |
<I/σ(I)> | 2.6 | |
Completeness [%] | 98.8 | 99.4 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% w/v PEG4000, 1 M ammonium formate, and 100 mM Tris, pH 8.0 |