1A0H
THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 273 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-03 |
| Detector | SIEMENS |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 186.150, 186.150, 120.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 3.200 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | THROMBIN |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 1.960 * |
| Data reduction software | SCALEK |
| Data scaling software | SCALEK |
| Phasing software | X-PLOR (3.84) |
| Refinement software | X-PLOR (3.84) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 3.300 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.120 | 0.190 |
| Number of reflections | 31648 | |
| <I/σ(I)> | 5.7 | 1.8 |
| Completeness [%] | 88.0 | 60 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | 17 MG/ML PROTEIN, 2% PEG4000, .25 M AMMONIUM PHOSPHATE, PH 8.0, 33% SATURATED AMMONIUM SULFATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 17 (mg/ml) | |
| 2 | 1 | drop | PEG4000 | 1-4 (%) | |
| 3 | 1 | drop | ammonium sulfate | 0.25 (M) | |
| 4 | 1 | drop | PPACK | 10:1 molar excess | |
| 5 | 1 | reservoir | ammonium sulfate | 32-34 (%) | |
| 6 | 1 | reservoir | 0.25 (M) |
