456C
CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.004, 35.622, 94.875 |
| Unit cell angles | 90.00, 131.19, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.400 |
| R-factor | 0.209 * |
| Rwork | 0.216 |
| R-free | 0.33400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cgf |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.941 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.207 |
| Number of reflections | 12287 | |
| <I/σ(I)> | 20 | 6.9 |
| Completeness [%] | 90.6 | 85.3 |
| Redundancy | 3.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | 4 * | pH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9-12 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | 50 (mM) | ||
| 5 | 1 | drop | inhibitor | 0.3 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 10-14 (%) | can be replaced by PEG8000 |
| 7 | 1 | reservoir | ammonium formate | 1.0-1.5 (M) | |
| 8 | 1 | reservoir | Tris | 100 (mM) |
