5EYY
Tetragonal Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.
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 | 2014-07-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.47 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 72.580, 72.580, 128.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.459 - 1.902 |
| R-factor | 0.1566 |
| Rwork | 0.156 |
| R-free | 0.17720 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.886 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.190 | 32.459 | 2.000 |
| High resolution limit [Å] | 1.902 | 6.010 | 1.900 |
| Rmerge | 0.038 | 0.165 | |
| Rmeas | 0.072 | ||
| Rpim | 0.025 | 0.014 | 0.063 |
| Total number of observations | 219670 | 7667 | 29076 |
| Number of reflections | 27589 | ||
| <I/σ(I)> | 19.1 | 25 | 10.2 |
| Completeness [%] | 99.0 | 96.3 | 94.3 |
| Redundancy | 8 | 7.8 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | Peg 8000, 2-Pentanediol, HEPES sodium |
