5TG3
Crystal Structure of Dioclea reflexa seed lectin (DrfL) in complex with X-Man
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 | PIXEL |
| Collection date | 2015-06-18 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.47 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.460, 85.180, 174.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.845 - 1.765 |
| R-factor | 0.2185 |
| Rwork | 0.217 |
| R-free | 0.24890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4not |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.372 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.840 | 33.840 | 1.850 |
| High resolution limit [Å] | 1.750 | 5.540 | 1.750 |
| Rmerge | 0.064 | 0.047 | 0.248 |
| Rmeas | 0.069 | 0.053 | 0.051 |
| Rpim | 0.026 | 0.020 | 0.019 |
| Total number of observations | 635999 | 24684 | 67014 |
| Number of reflections | 100509 | ||
| <I/σ(I)> | 15.8 | 27.8 | 4.9 |
| Completeness [%] | 92.2 | 98 | 70.8 |
| Redundancy | 6.3 | 6.8 | 6 |
| CC(1/2) | 0.998 | 0.998 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM HEPES pH 8.0 50 mM Cadmiun Sulfate 1M Sodium Acetate |
