3CXI
Structure of BthTX-I complexed with alpha-tocopherol
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 | 2005-01-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.421 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.370, 70.130, 43.830 |
| Unit cell angles | 90.00, 102.23, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.830 |
| Rwork | 0.195 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 19343 | |
| Completeness [%] | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 30% PEG 4000, 0.12M lithium sulphate, 0.1M TRIS HCl pH=7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
