5R5U
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1545312521
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 77.420, 77.420, 71.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.700 - 1.520 |
| R-factor | 0.1975 |
| Rwork | 0.196 |
| R-free | 0.22990 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qnv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.884 |
| 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] | 52.650 | 52.650 | 1.560 |
| High resolution limit [Å] | 1.520 | 6.800 | 1.520 |
| Rmerge | 0.096 | 0.048 | 1.157 |
| Rmeas | 0.098 | 0.049 | 1.231 |
| Rpim | 0.019 | 0.010 | 0.407 |
| Total number of observations | 762343 | 10795 | 20653 |
| Number of reflections | 34139 | ||
| <I/σ(I)> | 17.2 | 52.5 | 1.1 |
| Completeness [%] | 99.7 | 99.9 | 97.7 |
| Redundancy | 22.3 | 22.9 | 8.5 |
| CC(1/2) | 0.999 | 0.999 | 0.814 |
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 |
