1HV5
CRYSTAL STRUCTURE OF THE STROMELYSIN-3 (MMP-11) CATALYTIC DOMAIN COMPLEXED WITH A PHOSPHINIC INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 220 |
| Detector technology | CCD |
| Collection date | 1999 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 140.100, 148.500, 91.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.600 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 24.100 * |
| Data reduction software | DENZO |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.600 |
| Rmerge | 0.119 * |
| Number of reflections | 57370 |
| <I/σ(I)> | 19.96 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 4 * | Ammonium sulfate, CHAPS, VAPOR DIFFUSION, HANGING DROP at pH 5.5 at 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | phosphinic inhibitor RXP03 | 0.25 (mM) | |
| 3 | 1 | drop | MES | 50 (mM) | |
| 4 | 1 | drop | ammonium sulfate | 500 (mM) | |
| 5 | 1 | reservoir | MES | 50 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 500 (mM) | |
| 7 | 1 | reservoir | trifluoroethanol | 1 (%(v/v)) |
