5HVH
Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with two Inhibitory Nanobodies
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 62 2 2 |
| Unit cell lengths | 196.986, 196.986, 147.512 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.250 - 3.000 |
| R-factor | 0.1903 |
| Rwork | 0.190 |
| R-free | 0.20240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p10 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.250 | 49.250 | 3.150 |
| High resolution limit [Å] | 3.000 | 9.950 | 3.000 |
| Rmerge | 0.266 | 0.079 | 1.785 |
| Rmeas | 0.272 | 0.081 | 1.826 |
| Rpim | 0.058 | 0.018 | 0.384 |
| Total number of observations | 750979 | 20331 | 100102 |
| Number of reflections | 34292 | ||
| <I/σ(I)> | 11.6 | 27.6 | 2.1 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 21.9 | 18.9 | 22.4 |
| CC(1/2) | 0.996 | 0.998 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1 M sodium acetate trihydrate, 3.0 M sodium chloride |
