5R4E
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ201
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 | 79.970, 79.970, 137.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.260 - 1.830 |
| R-factor | 0.2193 |
| Rwork | 0.217 |
| R-free | 0.26370 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.455 |
| 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] | 69.260 | 69.260 | 1.880 |
| High resolution limit [Å] | 1.830 | 8.180 | 1.830 |
| Rmerge | 0.195 | 0.046 | 2.404 |
| Rmeas | 0.201 | 0.047 | 2.467 |
| Rpim | 0.046 | 0.011 | 0.548 |
| Total number of observations | 444129 | 5613 | 34054 |
| Number of reflections | 23669 | ||
| <I/σ(I)> | 14.5 | 45.9 | 1.4 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 18.8 | 16.1 | 20.1 |
| CC(1/2) | 0.999 | 1.000 | 0.494 |
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 |
