2OQD
Crystal Structure of BthTX-II
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 | 2006-03-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.427 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 58.912, 98.458, 46.720 |
| Unit cell angles | 90.00, 125.89, 90.00 |
Refinement procedure
| Resolution | 30.010 - 2.190 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gmz |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.300 |
| 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 | 2.270 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.089 | 0.264 |
| Number of reflections | 10657 | |
| <I/σ(I)> | 11.3 | 4.05 |
| Completeness [%] | 96.1 | 92.9 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 20% 2-propanol, 13% PEG 4000, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
