5POD
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07807b
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 | 2014-08-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.438, 56.193, 101.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.580 - 1.560 |
| R-factor | 0.1847 |
| Rwork | 0.183 |
| R-free | 0.21050 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5amf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 21.580 | 21.580 | 1.640 |
| High resolution limit [Å] | 1.560 | 4.930 | 1.560 |
| Rmerge | 0.075 | 0.029 | 0.616 |
| Rmeas | 0.083 | 0.032 | 0.683 |
| Rpim | 0.034 | 0.013 | 0.289 |
| Total number of observations | 256408 | 9956 | 33948 |
| Number of reflections | 44979 | ||
| <I/σ(I)> | 12.5 | 34.8 | 2.6 |
| Completeness [%] | 98.5 | 98.8 | 97 |
| Redundancy | 5.7 | 6.3 | 5.3 |
| CC(1/2) | 0.999 | 0.999 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |
