1W7G
Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-14 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.510, 71.343, 72.555 |
| Unit cell angles | 90.00, 100.59, 90.00 |
Refinement procedure
| Resolution | 19.780 - 1.650 |
| R-factor | 0.243 |
| Rwork | 0.243 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hgt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.850 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.090 | 0.240 |
| Number of reflections | 40937 | |
| <I/σ(I)> | 4.8 | 3.6 |
| Completeness [%] | 96.5 | 93 |
| Redundancy | 4.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | VAPOUR DIFFUSION HANGING DROP 20% P5KMME 0.1M HEPES PH7.5 0.3M NACL THROMBIN 10MG/ML HIRUDIN 3MM AND CS107 16MM, PH 7.50 |
