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 |