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 |