5S8I
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01186d (space group C2)
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 | 2016-06-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.073, 27.433, 56.717 |
| Unit cell angles | 90.00, 100.44, 90.00 |
Refinement procedure
| Resolution | 55.780 - 1.300 |
| R-factor | 0.1675 |
| Rwork | 0.166 |
| R-free | 0.20470 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.873 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.780 | 55.780 | 1.370 |
| High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
| Rmerge | 0.028 | 0.018 | 0.393 |
| Rmeas | 0.034 | 0.022 | 0.506 |
| Rpim | 0.019 | 0.012 | 0.315 |
| Total number of observations | 93983 | 3191 | 10243 |
| Number of reflections | 31146 | ||
| <I/σ(I)> | 19 | 58.3 | 2.4 |
| Completeness [%] | 99.1 | 97.7 | 97.8 |
| Redundancy | 3 | 3 | 2.3 |
| CC(1/2) | 0.999 | 0.999 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 17% PEG8K |
