8H78
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 | 2019-11-04 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 41 |
| Unit cell lengths | 79.683, 79.683, 127.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.780 - 2.400 |
| R-factor | 0.26794 |
| Rwork | 0.265 |
| R-free | 0.31892 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ayu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.601 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.780 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 15535 | 2252 |
| <I/σ(I)> | 5.7 | 1.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 11.5 | 11.7 |
| CC(1/2) | 0.976 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 16 % w/v Polyethylene glycol 8,000, 20 % v/v Glycerol, 40 mM Potassium di-hydrogen phosphate |
