5S8M
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N11511a (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 | 82.910, 27.350, 56.520 |
| Unit cell angles | 90.00, 99.42, 90.00 |
Refinement procedure
| Resolution | 40.900 - 1.200 |
| R-factor | 0.166 |
| Rwork | 0.165 |
| R-free | 0.18460 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.007 |
| 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] | 40.900 | 40.900 | 1.230 |
| High resolution limit [Å] | 1.200 | 5.370 | 1.200 |
| Rmerge | 0.030 | 0.017 | 0.608 |
| Rmeas | 0.036 | 0.021 | 0.821 |
| Rpim | 0.020 | 0.012 | 0.547 |
| Total number of observations | 107711 | 1415 | 4588 |
| Number of reflections | 37842 | ||
| <I/σ(I)> | 16.1 | 53.2 | 1.2 |
| Completeness [%] | 95.9 | 97.5 | 84.7 |
| Redundancy | 2.8 | 3 | 1.9 |
| CC(1/2) | 0.999 | 0.999 | 0.677 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 12% PEG8K |
