6CJ9
Crystal structure of lectin from Dioclea lasiophylla seeds (DlyL) complexed with X-Man
Replaces: 5U37Experimental 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 | 2016-10-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.42 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.100, 86.930, 92.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.860 - 1.700 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.21540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2je7 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.972 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.860 | 27.860 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.085 | 0.041 | 0.522 |
Rmeas | 0.094 | 0.060 | 0.046 |
Rpim | 0.039 | 0.024 | 0.019 |
Number of reflections | 28693 | 996 | 4097 |
<I/σ(I)> | 9.4 | ||
Completeness [%] | 99.4 | 99.2 | 98.8 |
Redundancy | 5.4 | 5.9 | 4.1 |
CC(1/2) | 0.996 | 0.998 | 0.799 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 100 mM HEPES pH 6.8 8% PEG 6000 |