8K5W
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 | 2018-11-21 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.319, 73.002, 75.994 |
| Unit cell angles | 90.00, 102.57, 90.00 |
Refinement procedure
| Resolution | 21.570 - 2.000 |
| R-factor | 0.22725 |
| Rwork | 0.225 |
| R-free | 0.27272 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.588 |
| 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] | 21.560 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 32566 | 4709 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.997 | 0.937 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 25% w/v Polyethylene glycol 1500, 100mM SPG buffer pH5.0 |
