7XGJ
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 | 2017-07-04 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.831, 41.305, 92.467 |
Unit cell angles | 90.00, 96.06, 90.00 |
Refinement procedure
Resolution | 22.020 - 2.800 |
R-factor | 0.22681 |
Rwork | 0.224 |
R-free | 0.28028 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ayu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.525 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | MOLREP (11.6.02) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.020 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.170 | 0.871 |
Number of reflections | 12307 | 1801 |
<I/σ(I)> | 7 | 1.5 |
Completeness [%] | 99.1 | 99.6 |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 20 % w/v Polyethylene glycol 6,000, 100 mM HEPES pH 7.5, 200mM Magnesium chloride |