4WV8
Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with lactose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.644, 97.427, 78.667 |
Unit cell angles | 90.00, 94.68, 90.00 |
Refinement procedure
Resolution | 82.045 - 1.830 |
R-factor | 0.1586 |
Rwork | 0.157 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fny |
RMSD bond length | 0.019 |
RMSD bond angle | 1.880 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.045 | 48.714 | 1.930 |
High resolution limit [Å] | 1.830 | 5.780 | 1.830 |
Rmerge | 0.055 | 0.262 | |
Rmeas | 0.097 | ||
Rpim | 0.054 | 0.036 | 0.178 |
Total number of observations | 314995 | 9919 | 45343 |
Number of reflections | 100813 | ||
<I/σ(I)> | 10.6 | 18.6 | 4.1 |
Completeness [%] | 99.4 | 98.5 | 98.6 |
Redundancy | 3.1 | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Jeffamine 50% |