5R4F
PanDDA analysis group deposition of ground-state model of ATAD2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.466, 80.466, 139.654 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.910 - 1.440 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.17660 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.384 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.930 | 27.930 | 1.480 |
| High resolution limit [Å] | 1.440 | 6.430 | 1.440 |
| Rmerge | 0.054 | 0.025 | 0.726 |
| Rmeas | 0.056 | 0.025 | 0.749 |
| Rpim | 0.013 | 0.006 | 0.183 |
| Total number of observations | 940067 | 11574 | 57152 |
| Number of reflections | 49175 | ||
| <I/σ(I)> | 33.6 | 101.3 | 4 |
| Completeness [%] | 99.9 | 98.9 | 99.1 |
| Redundancy | 19.1 | 17.1 | 16.4 |
| CC(1/2) | 1.000 | 1.000 | 0.915 |
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 |
