5BYN
Canavalia maritima lectin complexed with synthetic selenoamino acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.42 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 190.640, 190.640, 190.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.910 - 2.651 |
| R-factor | 0.2075 |
| Rwork | 0.204 |
| R-free | 0.27790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.827 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 110.066 | 38.914 | 2.790 |
| High resolution limit [Å] | 2.651 | 8.380 | 2.650 |
| Rmerge | 0.094 | 0.336 | |
| Rmeas | 0.126 | ||
| Rpim | 0.048 | 0.041 | 0.153 |
| Total number of observations | 110321 | 3589 | 13584 |
| Number of reflections | 16760 | ||
| <I/σ(I)> | 9.8 | 14.5 | 3.9 |
| Completeness [%] | 99.9 | 97 | 99.9 |
| Redundancy | 6.6 | 6.5 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Hepes-Na, ammonium sulfate, PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
