7XJO
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-15 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 128.977, 128.977, 91.027 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.100 - 2.000 |
| R-factor | 0.20108 |
| Rwork | 0.199 |
| R-free | 0.24285 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ayu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.845 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP (11.6.02) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.100 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.359 | 1.268 |
| Number of reflections | 30644 | 4387 |
| <I/σ(I)> | 5.4 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.6 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 20 % w/v Polyethylene glycol 3,350, 100 mM BIS-TRIS propane pH 7.5, 200mM Potassium Sodium tartrate |
