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 |