4PF5
Crystal structure of Concanavalin A complexed with a synthetic derivative of high-mannose chain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9785 |
Spacegroup name | H 3 2 |
Unit cell lengths | 125.901, 125.901, 181.972 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.985 - 2.040 |
R-factor | 0.1808 |
Rwork | 0.178 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.212 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 93.529 | 46.765 | 2.150 |
High resolution limit [Å] | 2.040 | 6.450 | 2.040 |
Rmerge | 0.102 | 0.594 | |
Rmeas | 0.176 | ||
Rpim | 0.059 | 0.038 | 0.211 |
Total number of observations | 316169 | 10092 | 45938 |
Number of reflections | 35512 | ||
<I/σ(I)> | 8.2 | 14.5 | 3.1 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 8.9 | 8.4 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Sodium Acetate, 1,4-dioxane |