5CUH
Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980100 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.680, 97.790, 43.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.910 - 1.830 |
| R-factor | 0.17461 |
| Rwork | 0.173 |
| R-free | 0.21368 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h3x |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.892 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.495 | 1.950 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.212 | 0.848 |
| Number of reflections | 28592 | |
| <I/σ(I)> | 9.57 | 2.25 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 4.73 | 4.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 293 | 40% MPEG 5K, pH 7.25, 18% MPEG 2K |
