3E8Y
Xray structure of scorpion toxin BmBKTx1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-10 |
| Detector | MAR CCD 300 |
| Wavelength(s) | 0.97911 |
| Spacegroup name | I 41/a |
| Unit cell lengths | 56.633, 56.633, 31.759 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| R-factor | 0.20175 |
| Rwork | 0.200 |
| R-free | 0.21737 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.920 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.129 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.045 | 0.417 |
| Number of reflections | 17925 | |
| <I/σ(I)> | 41.6 | 2.35 |
| Completeness [%] | 99.8 | 97.33 |
| Redundancy | 5.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 292 | 0.1 M citric acid, 2 M ammonium sulfate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
