5L79
Crystal structure of MMP12 in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21212.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 70.900, 62.790, 37.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.010 - 2.070 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gql |
RMSD bond length | 0.003 |
RMSD bond angle | 1.239 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.150 | 1.278 |
Number of reflections | 19792 | |
<I/σ(I)> | 10.15 | 1.67 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.69 | 4.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | protein: hMMP12 689 micro-M + 10 milli-M hydroxamic acid in .2 M NaCl, .02 M TRIS pH 7.5, 3 milli-M CaCl2, 0.1 milli-M ZnCl2 + 1 milli-M RXP470.1-PEG-Cy5.5 precipitant: 20% PEG4K, 2% dioxane, 0.2 milli-M TRIS pH 9.5 cryoprotectant: 40% CM26 (12.5 % diethylene glycol + 12.5 % ethylene glycol + 12.5 % glycerol + 25 % 2,3-butanediol + 12.5 % DMSO), 25% MPEG 6K, 100 milii-M bistrisPhosphate/Na citrate pH 6.8 |