3SHI
Crystal structure of human MMP1 catalytic domain at 2.2 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-26 |
Detector | OXFORD ONYX CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.694, 54.528, 94.905 |
Unit cell angles | 90.00, 120.69, 90.00 |
Refinement procedure
Resolution | 81.650 - 2.200 |
R-factor | 0.21528 |
Rwork | 0.209 |
R-free | 0.27814 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 966c |
RMSD bond length | 0.021 |
RMSD bond angle | 2.021 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.650 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.066 | 0.490 |
Number of reflections | 32923 | |
<I/σ(I)> | 9.1 | 1.8 |
Completeness [%] | 99.2 | 99.8 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 30% PEG8000, 0.1 M Tris-HCl, pH 8.5 |