1DX5
Crystal structure of the thrombin-thrombomodulin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-04-15 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 214.400, 214.400, 131.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.300 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | THROMBIN-PPACK |
| RMSD bond length | 0.080 |
| RMSD bond angle | 1.540 |
| Data reduction software | MOSFLM (V. 6.00) |
| Data scaling software | SCALA |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.850 | 2.420 |
| High resolution limit [Å] | 2.290 | 2.300 |
| Rmerge | 0.064 | 0.169 * |
| Number of reflections | 99777 * | |
| <I/σ(I)> | 15.55 | 3.87 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 * | 0.1 M NA ACETATE (PH 4.6), 1.8 M NA FORMATE, 0.002 M CA CHLORIDE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium HEPES | 10 (mM) | |
| 2 | 1 | drop | 20 (mM) | ||
| 3 | 1 | drop | 2 (mM) | ||
| 4 | 1 | drop | thrombin solution | ||
| 5 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 6 | 1 | reservoir | sodium formate | 1.8 (M) | |
| 7 | 1 | reservoir | 2 (mM) |
