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 |
