2HU6
Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.93920 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.250, 60.179, 53.974 |
| Unit cell angles | 90.00, 114.59, 90.00 |
Refinement procedure
| Resolution | 25.680 - 1.320 |
| R-factor | 0.16256 |
| Rwork | 0.161 |
| R-free | 0.18176 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.080 | 1.390 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.053 | 0.282 |
| Number of reflections | 34648 | |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 99.1 | 95.6 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M Tris-HCl, 30% PEG 6000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
