1G9F
CRYSTAL STRUCTURE OF THE SOYBEAN AGGLUTININ IN A COMPLEX WITH A BIANTENNARY BLOOD GROUP ANTIGEN ANALOG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-01-01 |
| Detector | SIEMENS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 122.640, 122.640, 90.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | soybean agglutinin |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | X-PLOR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.128 | |
| Total number of observations | 72368 * | |
| Number of reflections | 19716 * | |
| <I/σ(I)> | 12 | 3.7 |
| Completeness [%] | 80.0 | 72.7 * |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 * | 293 | protein,carbohydrate,HEPES,CaCl(2),MnCl(2),NaCl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | protein | 5-7 (mg/ml) | |
| 2 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 3 | 1 | reservoir | PEG6000 | 8-12 (%(w/v)) | |
| 4 | 1 | reservoir | 0.2-0.4 (M) |
