5U3E
Crystal Structure of Native Lectin from Canavalia bonariensis Seeds (CaBo) complexed with alpha-methyl-D-mannoside
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 | 2016-10-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.42 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.169, 70.030, 111.649 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.093 - 2.300 |
R-factor | 0.231 |
Rwork | 0.228 |
R-free | 0.28290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ovu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.068 |
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] | 36.093 | 47.310 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.108 | 0.069 | 0.250 |
Number of reflections | 11449 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.6 | 99.4 | 99.1 |
Redundancy | 5.9 | 5.5 | 5.9 |
CC(1/2) | 0.992 | 0.994 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 100 mM Sodium Acetate, pH 4.8 10% PEG 3000 400 mM Zync Acetate |