4DD8
ADAM-8 metalloproteinase domain with bound batimastat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.600, 50.900, 93.500 |
| Unit cell angles | 90.00, 102.40, 90.00 |
Refinement procedure
| Resolution | 44.745 - 2.100 |
| R-factor | 0.1916 |
| Rwork | 0.188 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r55 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.682 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 49479 | |
| <I/σ(I)> | 10.9 | 2.92 |
| Completeness [%] | 99.3 | 95.9 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | Purified ADAM-8/batimastat complex (10mg/mL) was crystallized by the sitting-drop vapor diffusion method, mixing 1uL complex with 1uL of 0.1M Tris pH 8.0, 1M sodium formate, 10% methanol. Crystals reached usable size in 10 days. Crystals were then transferred to a cryo solution containing 0.1M Tris pH 8.0, 1.2M sodium formate, 10% methanol, and 10% glycerol. The crystals were harvested and flash frozen in liquid nitrogen for data collection., VAPOR DIFFUSION, SITTING DROP, temperature 291K |
