5R5W
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z2856434942
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 | 77.290, 77.290, 71.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.650 - 1.600 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.21330 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qnv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.754 |
| 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] | 71.650 | 71.650 | 1.640 |
| High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
| Rmerge | 0.120 | 0.049 | 2.387 |
| Rmeas | 0.126 | 0.051 | 2.515 |
| Rpim | 0.036 | 0.015 | 0.785 |
| Total number of observations | 358647 | 4306 | 21643 |
| Number of reflections | 29281 | ||
| <I/σ(I)> | 13 | 42.2 | 1.1 |
| Completeness [%] | 99.9 | 100 | 99.6 |
| Redundancy | 12.2 | 10.6 | 10.1 |
| CC(1/2) | 0.999 | 0.999 | 0.556 |
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 |
