5POQ
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10974a
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 | 56.560, 56.610, 101.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.775 - 1.970 |
| R-factor | 0.2211 |
| Rwork | 0.218 |
| R-free | 0.28020 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5amf |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.318 |
| 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] | 50.775 | 50.780 | 2.020 |
| High resolution limit [Å] | 1.970 | 8.810 | 1.970 |
| Rmerge | 0.114 | 0.023 | 0.750 |
| Rmeas | 0.124 | 0.026 | 0.813 |
| Rpim | 0.048 | 0.011 | 0.310 |
| Total number of observations | 152219 | 1946 | 11744 |
| Number of reflections | 23361 | ||
| <I/σ(I)> | 13.9 | 55.3 | 2.7 |
| Completeness [%] | 98.3 | 99.9 | 99.9 |
| Redundancy | 6.5 | 5.9 | 6.7 |
| CC(1/2) | 0.997 | 1.000 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |
