5QXR
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF849
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 | 80.810, 80.810, 140.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.560 - 1.660 |
| R-factor | 0.1704 |
| Rwork | 0.169 |
| R-free | 0.19160 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.705 |
| 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] | 49.510 | 49.510 | 1.700 |
| High resolution limit [Å] | 1.660 | 7.420 | 1.660 |
| Rmerge | 0.133 | 0.021 | 2.320 |
| Rmeas | 0.137 | 0.021 | 2.391 |
| Rpim | 0.031 | 0.005 | 0.573 |
| Total number of observations | 609926 | 7810 | 40651 |
| Number of reflections | 32740 | ||
| <I/σ(I)> | 18.6 | 89.1 | 1.4 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 18.6 | 16.8 | 17.2 |
| CC(1/2) | 1.000 | 1.000 | 0.512 |
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 |
