1HY7
A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2000-03-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.918, 78.059, 105.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.250 - 1.500 |
| R-factor | 0.18992 |
| Rwork | 0.188 |
| R-free | 0.22039 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.725 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | FFT |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.398 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.062 | 0.290 |
| Number of reflections | 47986 | |
| <I/σ(I)> | 22 | 2 |
| Completeness [%] | 96.1 | 78.4 |
| Redundancy | 4.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 298 | PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
