1PP0
volvatoxin A2 in monoclinic crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 133 |
| Detector technology | CCD |
| Collection date | 2001-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9236 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.983, 57.478, 114.629 |
| Unit cell angles | 90.00, 119.39, 90.00 |
Refinement procedure
| Resolution | 29.850 - 1.420 |
| Rwork | 0.229 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1IW3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.850 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.036 | 0.258 |
| Number of reflections | 146871 | |
| <I/σ(I)> | 26 | 2 |
| Completeness [%] | 85.4 | 49.1 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | ammonium sulfate, PEG 4000, acetate buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
