4GR3
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A
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 | 2009-09-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9334 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 68.960, 63.130, 37.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.565 - 1.494 |
R-factor | 0.1821 |
Rwork | 0.180 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gql |
RMSD bond length | 0.006 |
RMSD bond angle | 1.091 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
High resolution limit [Å] | 1.490 | 4.460 | 1.490 |
Rmerge | 0.106 | 0.032 | 1.170 |
Number of reflections | 27049 | ||
<I/σ(I)> | 16.12 | 56.41 | 1.97 |
Completeness [%] | 99.7 | 99.4 | 98.9 |
Redundancy | 7.9 | 6.16 | 6.98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Protein: hMMP12(F171D) 643 microM. Reservoir: 18% PEG 10000, 0.2 M imidazole malate pH 8.0. Cryoprotectant: 27% PEG 8000, 15% monomethylPEG 550, 10% glycerol, 0.09 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |