5QHM
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with OX-145
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 | 2017-08-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 50.600, 50.600, 153.268 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.600 - 1.790 |
| R-factor | 0.2033 |
| Rwork | 0.202 |
| R-free | 0.23450 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lzk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.536 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.090 | 51.090 | 1.840 |
| High resolution limit [Å] | 1.790 | 8.010 | 1.790 |
| Rmerge | 0.080 | 0.028 | 2.219 |
| Rmeas | 0.086 | 0.030 | 2.370 |
| Rpim | 0.029 | 0.011 | 0.818 |
| Total number of observations | 163131 | 2000 | 11399 |
| Number of reflections | 19704 | ||
| <I/σ(I)> | 12.3 | 45.1 | 1.2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 8.3 | 6.8 | 8.1 |
| CC(1/2) | 0.999 | 0.999 | 0.575 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 27.3% Tacsimate pH 7.0, 0.15 M NaCl |
