4P14
Crystal structure of Canavalia brasiliensis (ConBr) complexed with adenine
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 | 2008-07-25 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.430 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.120, 70.940, 97.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.300 - 2.000 |
| R-factor | 0.17805 |
| Rwork | 0.175 |
| R-free | 0.22797 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h55 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.001 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.560 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.360 |
| Number of reflections | 15266 | |
| <I/σ(I)> | 18.6 | 4.8 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 9.5 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.8 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M HEPES, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
