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 |