3F19
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-21 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.00800 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 51.411, 60.686, 53.900 |
Unit cell angles | 90.00, 114.57, 90.00 |
Refinement procedure
Resolution | 25.800 - 1.130 |
R-factor | 0.16532 |
Rwork | 0.164 |
R-free | 0.18163 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.016 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.160 |
High resolution limit [Å] | 1.100 | 1.120 |
Rmerge | 0.047 | 0.193 |
Number of reflections | 56071 | |
<I/σ(I)> | 15 | 6.5 |
Completeness [%] | 97.8 | 79.4 |
Redundancy | 2.8 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M TRIS, 30% PEG 6000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |