5S8L
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (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 | 82.300, 27.660, 56.890 |
| Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
| Resolution | 55.920 - 1.230 |
| R-factor | 0.1292 |
| Rwork | 0.128 |
| R-free | 0.15940 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.954 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.920 | 55.920 | 1.070 |
| High resolution limit [Å] | 1.050 | 5.750 | 1.050 |
| Rmerge | 0.018 | 0.011 | 0.265 |
| Rmeas | 0.021 | 0.014 | 0.375 |
| Rpim | 0.012 | 0.008 | 0.265 |
| Total number of observations | 117044 | 1133 | 179 |
| Number of reflections | 42724 | ||
| <I/σ(I)> | 17.4 | 46.7 | 1.1 |
| Completeness [%] | 72.3 | 96.5 | 5.8 |
| Redundancy | 2.7 | 2.9 | 1.1 |
| CC(1/2) | 1.000 | 1.000 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 10% PEG8K |
