9R5Y
Crystal structure of the C-terminal domain of human TNC in complex with Adhiron 52
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 | 2019-09-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.535, 90.152, 104.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.854 - 1.399 |
| Rwork | 0.161 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.295 |
| Data reduction software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.854 | 1.436 |
| High resolution limit [Å] | 1.399 | 1.399 |
| Rmerge | 0.823 | |
| Rmeas | 0.884 | |
| Rpim | 0.313 | |
| Number of reflections | 143762 | 9572 |
| <I/σ(I)> | 15.8 | 1.8 |
| Completeness [%] | 99.6 | |
| Redundancy | 12.6 | |
| CC(1/2) | 0.999 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291.15 | 10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium l-tartrate, 0.02 M sodium oxamate, 0.1 M bicine/Trizma base pH 8.5 |
