5POJ
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10941a
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 | 55.716, 56.384, 101.685 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.670 - 1.620 |
| R-factor | 0.1987 |
| Rwork | 0.197 |
| R-free | 0.23620 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5amf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.064 |
| 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] | 21.670 | 21.670 | 1.720 |
| High resolution limit [Å] | 1.620 | 4.860 | 1.620 |
| Rmerge | 0.134 | 0.093 | 0.667 |
| Rmeas | 0.148 | 0.102 | 0.745 |
| Rpim | 0.063 | 0.042 | 0.324 |
| Total number of observations | 220775 | 10013 | 31950 |
| Number of reflections | 40527 | ||
| <I/σ(I)> | 6.8 | 13.6 | 2.4 |
| Completeness [%] | 97.8 | 98.8 | 96.5 |
| Redundancy | 5.4 | 6 | 5 |
| CC(1/2) | 0.988 | 0.988 | 0.635 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |
