3LIL
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 | 68.782, 62.667, 37.648 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.323 - 1.800 |
| R-factor | 0.1554 |
| Rwork | 0.154 |
| R-free | 0.18960 |
| Structure solution method | RIGID BODY |
| Starting model (for MR) | 3lik |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.166 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.320 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.090 | 0.390 |
| Number of reflections | 15718 | |
| <I/σ(I)> | 14.6 | 1.94 |
| Completeness [%] | 100.0 | 99.99 |
| Redundancy | 7.52 | 7.65 |
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: 21% PEG 10K, 0.2M imidazole malate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
