1JWI
Crystal Structure of Bitiscetin, a von Willeband Factor-dependent Platelet Aggregation Inducer.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.350, 61.740, 120.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.207 * |
| Rwork | 0.207 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bj3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.093 | 0.264 |
| Total number of observations | 566351 * | |
| Number of reflections | 18662 * | |
| <I/σ(I)> | 18.9 | 4.3 |
| Completeness [%] | 98.8 | 96.9 |
| Redundancy | 30.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 20 * | PEG 3350, calcium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH8.5 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
| 5 | 1 | reservoir | PEG3350 | 10 (%) | or PEG6000 |
| 6 | 1 | reservoir | 100 (mM) |
