2OW2
MMP-9 active site mutant with difluoro butanoic acid 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 | 2006-05-25 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 55.420, 55.420, 260.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.730 - 2.900 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gkd |
| RMSD bond length | 0.006 |
| 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] | 20.000 | 2.870 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.122 | 0.475 |
| Number of reflections | 9963 | |
| <I/σ(I)> | 12.4 | 2.2 |
| Completeness [%] | 93.7 | 77.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 293 | 3.0 M NaCl, 0.1 M citric acid, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K, pH 4.0, pH 4.00 |
