7A0D
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.672, 102.374, 142.735 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.180 - 1.600 |
Rwork | 0.183 |
R-free | 0.21540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hrt |
RMSD bond length | 0.010 |
RMSD bond angle | 1.814 |
Data reduction software | Aimless |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.180 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.096 | 2.370 |
Rmeas | 0.100 | 2.470 |
Rpim | 0.028 | 0.693 |
Number of reflections | 56998 | 2752 |
<I/σ(I)> | 13.8 | 1.1 |
Completeness [%] | 99.9 | 98.3 |
Redundancy | 13 | 12.5 |
CC(1/2) | 0.999 | 0.421 |
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), 0.2 M NaCl |