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 |