1G4K
X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-02-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 103.800, 103.800, 147.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.244 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.047 | 0.121 |
| Number of reflections | 55161 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | drop consists of 2 micro litter of protein solution and 1 micro litter of reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | 0.02 (%) | ||
| 5 | 1 | drop | inhibitor | 2.5 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 7 | 1 | reservoir | mPEG5000 | 30 (%) | |
| 8 | 1 | reservoir | HEPES | 0.1 (M) |
