5R61
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1578665941
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 77.340, 77.340, 71.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.690 - 1.380 |
| R-factor | 0.1784 |
| Rwork | 0.177 |
| R-free | 0.20740 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qnv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.840 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 54.690 | 54.690 | 1.420 |
| High resolution limit [Å] | 1.380 | 6.170 | 1.380 |
| Rmerge | 0.052 | 0.022 | 1.324 |
| Rmeas | 0.055 | 0.023 | 1.478 |
| Rpim | 0.016 | 0.007 | 0.641 |
| Total number of observations | 472002 | 6527 | 16402 |
| Number of reflections | 45114 | ||
| <I/σ(I)> | 20.8 | 68.2 | 1 |
| Completeness [%] | 99.6 | 100 | 99.1 |
| Redundancy | 10.5 | 10.7 | 5.1 |
| CC(1/2) | 1.000 | 1.000 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | MORPHEUS 0.09M NPS, 0.1M BUFFER SYSTEM 3 PH = 8.5, 50% V/V PRECIPITANT MIX 1 |
