4K09
Crystal structure of BbTX-II from Bothrops brazili venom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-24 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.435 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.437, 56.437, 129.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.295 - 2.107 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.24430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.835 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 32.300 |
| High resolution limit [Å] | 2.107 |
| Rmerge | 0.063 |
| Number of reflections | 13823 |
| <I/σ(I)> | 21.09 |
| Completeness [%] | 96.0 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 30% (w/v) PEG 4000, 0.25M lithium sulfate, 0.1M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
