3P8S
Crystal structure of single chain recombinant jacalin showing highly dynamic posttranslational excission loop that reduces binding affinity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Collection date | 2007-06-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.878, 42.157, 73.586 |
Unit cell angles | 90.00, 122.39, 90.00 |
Refinement procedure
Resolution | 56.570 - 2.000 |
R-factor | 0.18013 |
Rwork | 0.178 |
R-free | 0.21150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jac |
RMSD bond length | 0.009 |
RMSD bond angle | 1.184 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.600 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.072 | 0.072 |
Number of reflections | 19935 | |
<I/σ(I)> | 11.6 | 11.6 |
Completeness [%] | 94.1 | 94.1 |
Redundancy | 1.13 | 1.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.2M Ammonium acetate, 0.1M Sodium acetate buffer, 15%(w/v) PEG 8000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |