7A0E
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C6U/C14U) at 1.9 Angstroms Resolution
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.099, 101.995, 144.044 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.020 - 1.900 |
| Rwork | 0.214 |
| R-free | 0.26290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7a0d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.453 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.020 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.206 | 1.848 |
| Rmeas | 0.216 | 2.148 |
| Rpim | 0.062 | 1.061 |
| Number of reflections | 33481 | 1323 |
| <I/σ(I)> | 5 | 0.2 |
| Completeness [%] | 98.0 | |
| Redundancy | 10.6 | |
| CC(1/2) | 0.992 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 297 | 38% PEG 4000, 0.1 M sodium phosphate (pH= 4.7), and 0.2 M NaCl |
