3LIR
Human MMP12 in complex with non-zinc chelating inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.997, 63.171, 37.573 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.592 - 1.900 |
| R-factor | 0.161 |
| Rwork | 0.159 |
| R-free | 0.21050 |
| Structure solution method | rigid body |
| Starting model (for MR) | 1rmz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.167 |
| 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] | 69.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.128 | 0.534 |
| Number of reflections | 13419 | |
| <I/σ(I)> | 12.8 | 4.2 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 5.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | MMP12 at 4mg/ml co-crystallization with non-chelating inhibitor with precipitant: 22% PEG 3350, 100mM Glycine., pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
