1F94
THE 0.97 RESOLUTION STRUCTURE OF BUCANDIN, A NOVEL TOXIN ISOLATED FROM THE MALAYAN KRAIT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-12 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.970, 22.520, 32.600 |
| Unit cell angles | 90.00, 100.23, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.970 |
| R-factor | 0.1234 |
| Rwork | 0.124 |
| R-free | 0.17700 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.260 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SnB |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 0.990 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.054 | 0.664 * |
| Total number of observations | 119818 * | |
| Number of reflections | 33370 | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.5 | 94.6 * |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | iso-propanol, ammonium acetate, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | 2-propanol | 30 (%) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 4 | 1 | reservoir | ammonium acetate | 0.2 (M) |
