5QXP
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732
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 | 80.500, 80.500, 139.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.720 - 1.410 |
| R-factor | 0.1751 |
| Rwork | 0.174 |
| R-free | 0.19030 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.965 |
| 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] | 69.720 | 69.720 | 1.450 |
| High resolution limit [Å] | 1.410 | 6.310 | 1.410 |
| Rmerge | 0.108 | 0.036 | 2.470 |
| Rmeas | 0.111 | 0.037 | 2.551 |
| Rpim | 0.025 | 0.009 | 0.631 |
| Total number of observations | 993533 | 12362 | 61212 |
| Number of reflections | 52288 | ||
| <I/σ(I)> | 17 | 63.7 | 1.3 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 19 | 17 | 16.2 |
| CC(1/2) | 0.999 | 0.999 | 0.547 |
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 |
