5PO9
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07950b
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 | 54.778, 56.410, 100.661 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.838 - 2.116 |
| R-factor | 0.1907 |
| Rwork | 0.187 |
| R-free | 0.25260 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5amf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.114 |
| 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] | 28.838 | 28.840 | 2.170 |
| High resolution limit [Å] | 2.120 | 9.460 | 2.120 |
| Rmerge | 0.129 | 0.024 | 0.965 |
| Rmeas | 0.141 | 0.026 | 1.056 |
| Rpim | 0.055 | 0.011 | 0.421 |
| Total number of observations | 116223 | 1437 | 7321 |
| Number of reflections | 18167 | ||
| <I/σ(I)> | 13.3 | 56.1 | 2.1 |
| Completeness [%] | 98.6 | 96.9 | 93.1 |
| Redundancy | 6.4 | 5.9 | 5.9 |
| CC(1/2) | 0.997 | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |
