5R5T
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1251207602
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 | 2019-04-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 77.460, 77.460, 71.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.760 - 1.550 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21460 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qnv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.830 |
| 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] | 38.730 | 38.730 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.130 | 0.059 | 3.014 |
| Rmeas | 0.135 | 0.062 | 3.125 |
| Rpim | 0.036 | 0.019 | 0.821 |
| Total number of observations | 426392 | 4839 | 31039 |
| Number of reflections | 31322 | ||
| <I/σ(I)> | 10.9 | 34.2 | 1 |
| Completeness [%] | 97.4 | 98.8 | 94.7 |
| Redundancy | 13.6 | 11.2 | 14.2 |
| CC(1/2) | 0.999 | 0.997 | 0.504 |
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 |
