5QXZ
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF853
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 | 2016-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.366, 80.366, 140.157 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.920 - 1.640 |
| R-factor | 0.1597 |
| Rwork | 0.159 |
| R-free | 0.17970 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.865 |
| 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] | 28.030 | 28.030 | 1.680 |
| High resolution limit [Å] | 1.640 | 7.320 | 1.640 |
| Rmerge | 0.093 | 0.033 | 0.866 |
| Rmeas | 0.096 | 0.034 | 0.892 |
| Rpim | 0.022 | 0.008 | 0.209 |
| Total number of observations | 631545 | 7877 | 40868 |
| Number of reflections | 33725 | ||
| <I/σ(I)> | 22.2 | 67 | 3.1 |
| Completeness [%] | 99.7 | 98.4 | 96.6 |
| Redundancy | 18.7 | 16.9 | 17.4 |
| CC(1/2) | 1.000 | 1.000 | 0.865 |
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 |
