5HVG
Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-a204)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 61 |
| Unit cell lengths | 193.266, 193.266, 111.767 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.380 - 3.050 |
| R-factor | 0.1805 |
| Rwork | 0.179 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p10 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.380 | 48.380 | 3.160 |
| High resolution limit [Å] | 3.050 | 11.810 | 3.050 |
| Rmerge | 0.240 | 0.033 | 2.153 |
| Rmeas | 0.279 | 0.040 | 2.506 |
| Rpim | 0.142 | 0.021 | 1.273 |
| Total number of observations | 173375 | 2894 | 17132 |
| Number of reflections | 45398 | ||
| <I/σ(I)> | 5.3 | 19.8 | 0.7 |
| Completeness [%] | 100.0 | 98.6 | 100 |
| Redundancy | 3.8 | 3.6 | 3.8 |
| CC(1/2) | 0.979 | 0.986 | 0.229 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M ammonium acetate, 0.1 M bis-Tris, 16 % w/v PEG-10k |
