3LIK
Human MMP12 in complex with non-zinc chelating inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-15 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9334 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.447, 62.853, 36.629 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.295 - 1.800 |
| R-factor | 0.1599 |
| Rwork | 0.157 |
| R-free | 0.20930 |
| Structure solution method | rigid body |
| Starting model (for MR) | 1rmz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.044 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.270 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.235 |
| Number of reflections | 13458 | |
| <I/σ(I)> | 15.23 | 5.7 |
| Completeness [%] | 89.1 | 79.7 |
| Redundancy | 6.08 | 6.3 |
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: 25% PEG 10K, 100mM NaCl,0.2M imidazole malate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
