7XJO
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 | 2018-03-15 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54184 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 128.977, 128.977, 91.027 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.100 - 2.000 |
R-factor | 0.20108 |
Rwork | 0.199 |
R-free | 0.24285 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ayu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.845 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | MOLREP (11.6.02) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.100 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.359 | 1.268 |
Number of reflections | 30644 | 4387 |
<I/σ(I)> | 5.4 | 1.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.6 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 20 % w/v Polyethylene glycol 3,350, 100 mM BIS-TRIS propane pH 7.5, 200mM Potassium Sodium tartrate |