5QXI
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC587
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 | 2016-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.177, 80.177, 138.784 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.780 - 1.640 |
| R-factor | 0.1577 |
| Rwork | 0.157 |
| R-free | 0.17730 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.511 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.770 | 27.770 | 1.680 |
| High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
| Rmerge | 0.084 | 0.029 | 0.791 |
| Rmeas | 0.087 | 0.029 | 0.813 |
| Rpim | 0.020 | 0.007 | 0.187 |
| Total number of observations | 634852 | 7608 | 44063 |
| Number of reflections | 33192 | ||
| <I/σ(I)> | 26.7 | 83.1 | 4.3 |
| Completeness [%] | 100.0 | 98.3 | 99.6 |
| Redundancy | 19.1 | 16.7 | 18.4 |
| CC(1/2) | 1.000 | 1.000 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5 |
