5L7F
Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21.
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 1 21 1 |
Unit cell lengths | 48.920, 70.370, 52.220 |
Unit cell angles | 90.00, 104.61, 90.00 |
Refinement procedure
Resolution | 47.340 - 1.800 |
R-factor | 0.17656 |
Rwork | 0.176 |
R-free | 0.19464 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5czm |
RMSD bond length | 0.019 |
RMSD bond angle | 1.800 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.340 | 1.840 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.145 | 0.947 |
Number of reflections | 63601 | |
<I/σ(I)> | 6.87 | 1.43 |
Completeness [%] | 96.9 | 98.4 |
Redundancy | 2.386860603 | 2.36172043 |
CC(1/2) | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | protein: MMP12-F171D-K241A 661 micro-M + 10 milli-M AHA, 10% DMSO, 0.5 milli-M fluorescent inhibitor (R47-CY5) precipitant: 20% PEG4K, 2% gamma valerolactone, 0.2 milli-M TRIS pH 9.5 40% CM26 ((12.5 % diethylene glycol + 12.5 % ethylene glycol + 12.5 % glycerol + 25 % 2,3-butanediol + 12.5 % DMSO), 25% MPEG 6K |