5R5Y
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z509756472
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 | 77.220, 77.220, 71.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.600 - 1.570 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.20960 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qnv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.796 |
| 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] | 54.600 | 54.600 | 1.610 |
| High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
| Rmerge | 0.106 | 0.056 | 2.008 |
| Rmeas | 0.111 | 0.059 | 2.126 |
| Rpim | 0.032 | 0.017 | 0.693 |
| Total number of observations | 371477 | 4487 | 20799 |
| Number of reflections | 30855 | ||
| <I/σ(I)> | 13.2 | 38.3 | 1.1 |
| Completeness [%] | 99.9 | 100 | 99.8 |
| Redundancy | 12 | 10.5 | 9.3 |
| CC(1/2) | 0.999 | 0.999 | 0.603 |
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 |
