3EHX
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-01 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 51.181, 60.554, 54.428 |
Unit cell angles | 90.00, 115.90, 90.00 |
Refinement procedure
Resolution | 30.275 - 1.900 |
R-factor | 0.16624 |
Rwork | 0.163 |
R-free | 0.20083 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y93 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.613 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.275 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.064 | 0.169 |
Number of reflections | 11585 | |
<I/σ(I)> | 11.2 | 9.1 |
Completeness [%] | 98.0 | 91.3 |
Redundancy | 6.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris, 30% PEG 8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |