5QHQ
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000574a
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 | 2017-08-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 50.484, 50.484, 154.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.480 - 1.960 |
| R-factor | 0.2108 |
| Rwork | 0.208 |
| R-free | 0.25460 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lzk |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.794 |
| 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] | 51.400 | 51.400 | 2.010 |
| High resolution limit [Å] | 1.960 | 8.770 | 1.960 |
| Rmerge | 0.115 | 0.024 | 2.175 |
| Rmeas | 0.123 | 0.026 | 2.320 |
| Rpim | 0.043 | 0.010 | 0.799 |
| Total number of observations | 122070 | 1538 | 9164 |
| Number of reflections | 15208 | ||
| <I/σ(I)> | 10.1 | 43.4 | 1.2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 8 | 6.6 | 8.4 |
| CC(1/2) | 0.999 | 1.000 | 0.551 |
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 |
