3HDB
Crystal structure of AaHIV, A metalloproteinase from venom of Agkistrodon Acutus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 1.100 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 111.190, 122.278, 94.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.270 - 2.310 |
| R-factor | 0.21427 |
| Rwork | 0.212 |
| R-free | 0.24933 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bud |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.111 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.084 | 0.401 |
| Number of reflections | 25459 | |
| <I/σ(I)> | 10 | 2.9 |
| Completeness [%] | 95.0 | 96.9 |
| Redundancy | 5.1 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 277 | 28% PEG400, 80mM calcium chloride, 0.1M HEPES sodium, pH7.5, EVAPORATION, temperature 277K |
