4G9L
Structure of MMP3 complexed with NNGH inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-11 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.990, 78.840, 106.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.810 - 1.880 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sln |
RMSD bond length | 0.022 |
RMSD bond angle | 1.872 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | ILMILIONE (V3.0) |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.990 | 1.860 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.439 | |
Number of reflections | 30555 | |
<I/σ(I)> | 5.8 | |
Completeness [%] | 96.4 | 98.4 |
Redundancy | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 293 | 25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, temperature 293K |