5R5X
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1259335913
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 | 77.160, 77.160, 71.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.560 - 1.560 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.21100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qnv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.780 |
| 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] | 54.560 | 54.560 | 1.600 |
| High resolution limit [Å] | 1.560 | 6.980 | 1.560 |
| Rmerge | 0.071 | 0.019 | 1.743 |
| Rmeas | 0.075 | 0.020 | 1.852 |
| Rpim | 0.021 | 0.006 | 0.617 |
| Total number of observations | 376004 | 4514 | 20245 |
| Number of reflections | 31407 | ||
| <I/σ(I)> | 18.7 | 73.5 | 1.3 |
| Completeness [%] | 99.7 | 100 | 99.5 |
| Redundancy | 12 | 10.4 | 8.9 |
| CC(1/2) | 1.000 | 1.000 | 0.596 |
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 |
