8H78
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 | 2019-11-04 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54184 |
Spacegroup name | I 41 |
Unit cell lengths | 79.683, 79.683, 127.434 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.780 - 2.400 |
R-factor | 0.26794 |
Rwork | 0.265 |
R-free | 0.31892 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ayu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.601 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | MOLREP (11.7.03) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.780 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 15535 | 2252 |
<I/σ(I)> | 5.7 | 1.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 11.5 | 11.7 |
CC(1/2) | 0.976 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 16 % w/v Polyethylene glycol 8,000, 20 % v/v Glycerol, 40 mM Potassium di-hydrogen phosphate |