3LJG
Human MMP12 in complex with non-zinc chelating inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.855 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.090, 62.820, 37.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.594 - 1.313 |
| R-factor | 0.1738 |
| Rwork | 0.173 |
| R-free | 0.19480 |
| Structure solution method | rigid body |
| Starting model (for MR) | 3lir |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC ((rigid body)) |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.990 | 1.380 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.101 | 0.766 |
| Number of reflections | 39828 | |
| <I/σ(I)> | 13.6 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.2 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | MMP12 at 4mg/ml co-crystallization with AHA and non-chelating inhibitor with precipitant: 19% PEG 10K, 0.2M imidazole malate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
