4XXA
Crystal structure of a recombinant Vatairea macrocarpa seed lectin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.915 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 96.083, 96.083, 85.099 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 83.210 - 1.900 |
R-factor | 0.1937 |
Rwork | 0.192 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u2a |
RMSD bond length | 0.019 |
RMSD bond angle | 1.942 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.210 | 48.042 | 2.000 |
High resolution limit [Å] | 1.898 | 6.000 | 1.900 |
Rmerge | 0.030 | 0.227 | |
Rmeas | 0.041 | ||
Rpim | 0.013 | 0.011 | 0.077 |
Total number of observations | 359699 | 10812 | 50376 |
Number of reflections | 36249 | ||
<I/σ(I)> | 31 | 63.8 | 8.9 |
Completeness [%] | 99.9 | 99.7 | 99.6 |
Redundancy | 9.9 | 8.6 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Cubic-like crystals |