5HVF
Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-i83)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.290, 69.978, 165.337 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.990 - 2.850 |
| R-factor | 0.1937 |
| Rwork | 0.192 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p10 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| 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] | 48.990 | 48.990 | 3.000 |
| High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
| Rmerge | 0.139 | 0.070 | 0.838 |
| Rmeas | 0.160 | 0.080 | 0.962 |
| Rpim | 0.076 | 0.038 | 0.460 |
| Total number of observations | 52279 | 1657 | 7500 |
| Number of reflections | 13179 | ||
| <I/σ(I)> | 7.1 | 16.6 | 2 |
| Completeness [%] | 92.1 | 87.7 | 94.3 |
| Redundancy | 4 | 3.7 | 3.9 |
| CC(1/2) | 0.992 | 0.995 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 0.1 M citric acid, 25 % w/v PEG 3350 |
