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 |
