7XGJ
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 | 2017-07-04 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.831, 41.305, 92.467 |
| Unit cell angles | 90.00, 96.06, 90.00 |
Refinement procedure
| Resolution | 22.020 - 2.800 |
| R-factor | 0.22681 |
| Rwork | 0.224 |
| R-free | 0.28028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ayu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.525 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP (11.6.02) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.020 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.170 | 0.871 |
| Number of reflections | 12307 | 1801 |
| <I/σ(I)> | 7 | 1.5 |
| Completeness [%] | 99.1 | 99.6 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 20 % w/v Polyethylene glycol 6,000, 100 mM HEPES pH 7.5, 200mM Magnesium chloride |
