5POI
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11016a
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 | 56.114, 56.589, 101.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.060 - 2.365 |
| R-factor | 0.1673 |
| Rwork | 0.164 |
| R-free | 0.22760 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5amf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.954 |
| 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] | 29.060 | 29.060 | 2.430 |
| High resolution limit [Å] | 2.360 | 10.580 | 2.360 |
| Rmerge | 0.086 | 0.022 | 0.300 |
| Rmeas | 0.094 | 0.024 | 0.326 |
| Rpim | 0.037 | 0.010 | 0.125 |
| Total number of observations | 87346 | 1053 | 6547 |
| Number of reflections | 13702 | ||
| <I/σ(I)> | 24.5 | 71 | 8.1 |
| Completeness [%] | 99.3 | 95.8 | 98.6 |
| Redundancy | 6.4 | 5.6 | 6.7 |
| CC(1/2) | 0.998 | 0.999 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |
