5QXV
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC631
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 | 81.262, 81.262, 140.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.370 - 1.740 |
| R-factor | 0.1731 |
| Rwork | 0.172 |
| R-free | 0.19840 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.635 |
| 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] | 140.550 | 140.550 | 1.830 |
| High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
| Rmerge | 0.126 | 0.044 | 1.300 |
| Rmeas | 0.130 | 0.046 | 1.336 |
| Rpim | 0.030 | 0.011 | 0.304 |
| Total number of observations | 552967 | 17704 | 78502 |
| Number of reflections | 29009 | ||
| <I/σ(I)> | 16.9 | 46.3 | 2.3 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 19.1 | 16.3 | 19.1 |
| CC(1/2) | 0.999 | 1.000 | 0.902 |
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 |
