1D5J
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 173 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.780, 78.540, 105.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| Rwork | 0.237 |
| R-free | 0.25700 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.470 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (98.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.184 | 0.468 |
| Number of reflections | 9752 | |
| <I/σ(I)> | 18.8 | |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 8.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 8.5 | 298 | PEG 6000, NACL, MGCL2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
