2DW2
Crystal structure of VAP2 from Crotalus atrox venom (Form 2-5 crystal)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2005-11-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 220.742, 79.475, 58.690 |
| Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| Rwork | 0.199 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ero |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (in CCP4) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.085 | 0.231 |
| Number of reflections | 26911 | |
| <I/σ(I)> | 10.1 | 5.5 |
| Completeness [%] | 95.9 | 82.5 |
| Redundancy | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 4% n-propanol, 16.2% PEG8000, 0.18M calcium acetate, 0.09M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
