5QHS
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FF000014a
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) | 0.97625 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 50.774, 50.774, 154.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.770 - 1.950 |
| R-factor | 0.2056 |
| Rwork | 0.203 |
| R-free | 0.25370 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lzk |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.828 |
| 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] | 51.410 | 51.410 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.111 | 0.030 | 1.169 |
| Rmeas | 0.116 | 0.032 | 1.223 |
| Rpim | 0.033 | 0.010 | 0.356 |
| Total number of observations | 188277 | 2093 | 12881 |
| Number of reflections | 15563 | ||
| <I/σ(I)> | 14 | 43.5 | 2.3 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 12.1 | 8.8 | 11.6 |
| CC(1/2) | 0.999 | 0.999 | 0.509 |
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 |
