5QHI
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000271a
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 | 37.470, 74.220, 63.050 |
| Unit cell angles | 90.00, 96.29, 90.00 |
Refinement procedure
| Resolution | 62.670 - 1.730 |
| R-factor | 0.1762 |
| Rwork | 0.174 |
| R-free | 0.22190 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lzk |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.873 |
| 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] | 31.930 | 31.930 | 1.770 |
| High resolution limit [Å] | 1.730 | 7.740 | 1.730 |
| Rmerge | 0.109 | 0.040 | 0.996 |
| Rmeas | 0.129 | 0.047 | 1.202 |
| Rpim | 0.069 | 0.025 | 0.664 |
| Total number of observations | 118553 | 1386 | 8233 |
| Number of reflections | 35382 | ||
| <I/σ(I)> | 8.1 | 29 | 1.2 |
| Completeness [%] | 98.8 | 94.1 | 98.4 |
| Redundancy | 3.4 | 3.5 | 3.2 |
| CC(1/2) | 0.996 | 0.997 | 0.460 |
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 |
