1D5J
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 173 |
Detector technology | IMAGE PLATE |
Collection date | 1996-08-20 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.780, 78.540, 105.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.600 |
Rwork | 0.237 |
R-free | 0.25700 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.470 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (98.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.184 | 0.468 |
Number of reflections | 9752 | |
<I/σ(I)> | 18.8 | |
Completeness [%] | 99.7 | 99.1 |
Redundancy | 8.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 8.5 | 298 | PEG 6000, NACL, MGCL2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |