8K5X
Crystal structure of human proMMP-9 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 | 2019-11-22 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.388, 73.176, 76.163 |
| Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
| Resolution | 22.010 - 1.900 |
| R-factor | 0.17471 |
| Rwork | 0.173 |
| R-free | 0.20643 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.710 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 37682 | 5413 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.992 | 0.829 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 25% w/v Polyethylene glycol 1500, 100mM SPG buffer pH5.0 |
