2OW0
MMP-9 active site mutant with iodine-labeled carboxylate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-11 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 55.190, 55.190, 260.361 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.970 - 2.000 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gkd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.089 | 0.260 |
| Number of reflections | 29623 | |
| <I/σ(I)> | 21.7 | 5.2 |
| Completeness [%] | 96.5 | 92.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 293 | 4.0 M NaCl, 0.1 M Hepes,VAPOR DIFFUSION, SITTING DROP, temperature 293.0K, pH 8.0, pH 8.00 |
