5QHJ
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000709a
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 | 37.630, 74.270, 63.490 |
| Unit cell angles | 90.00, 96.45, 90.00 |
Refinement procedure
| Resolution | 63.090 - 1.680 |
| R-factor | 0.1729 |
| Rwork | 0.171 |
| R-free | 0.21310 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lzk |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.951 |
| 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] | 24.180 | 24.180 | 1.720 |
| High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
| Rmerge | 0.095 | 0.024 | 1.029 |
| Rmeas | 0.113 | 0.028 | 1.230 |
| Rpim | 0.061 | 0.015 | 0.667 |
| Total number of observations | 131094 | 1429 | 9730 |
| Number of reflections | 39348 | ||
| <I/σ(I)> | 8.7 | 35.2 | 1.2 |
| Completeness [%] | 99.3 | 89.6 | 99.7 |
| Redundancy | 3.3 | 3.4 | 3.3 |
| CC(1/2) | 0.997 | 0.999 | 0.465 |
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 |
