5QHL
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000551a
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 | 2016-07-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.730, 74.390, 63.160 |
| Unit cell angles | 90.00, 96.57, 90.00 |
Refinement procedure
| Resolution | 62.750 - 1.680 |
| R-factor | 0.1728 |
| Rwork | 0.171 |
| R-free | 0.21710 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lzk |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.829 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.960 | 47.960 | 1.720 |
| High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
| Rmerge | 0.096 | 0.030 | 1.275 |
| Rmeas | 0.114 | 0.036 | 1.523 |
| Rpim | 0.062 | 0.019 | 0.824 |
| Total number of observations | 131307 | 1489 | 9648 |
| Number of reflections | 39230 | ||
| <I/σ(I)> | 7.5 | 29.2 | 1 |
| Completeness [%] | 99.2 | 93.3 | 99.6 |
| Redundancy | 3.3 | 3.4 | 3.3 |
| CC(1/2) | 0.997 | 0.998 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.8M NaP monobasic, 0.8M KP dibasic, 0.1M HEPES pH 7.5 5%(w/v) PEG10K |
