5POY
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11029a
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 | 56.034, 56.502, 101.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.097 - 1.758 |
| R-factor | 0.2401 |
| Rwork | 0.238 |
| R-free | 0.27350 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5amf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.008 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.097 | 29.100 | 1.800 |
| High resolution limit [Å] | 1.760 | 7.860 | 1.760 |
| Rmerge | 0.220 | 0.055 | 0.972 |
| Rmeas | 0.241 | 0.060 | 1.060 |
| Rpim | 0.097 | 0.024 | 0.417 |
| Total number of observations | 201053 | 2654 | 14941 |
| Number of reflections | 32664 | ||
| <I/σ(I)> | 10.8 | 31.7 | 2.6 |
| Completeness [%] | 99.3 | 98 | 97.6 |
| Redundancy | 6.2 | 6.2 | 6.4 |
| CC(1/2) | 0.985 | 0.996 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |
