5S8G
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00804d (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 | 83.010, 27.150, 56.630 |
| Unit cell angles | 90.00, 100.46, 90.00 |
Refinement procedure
| Resolution | 40.820 - 1.190 |
| R-factor | 0.1697 |
| Rwork | 0.168 |
| R-free | 0.19840 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.825 |
| 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] | 40.820 | 40.820 | 1.220 |
| High resolution limit [Å] | 1.190 | 5.320 | 1.190 |
| Rmerge | 0.037 | 0.020 | 0.529 |
| Rmeas | 0.045 | 0.024 | 0.718 |
| Rpim | 0.025 | 0.013 | 0.482 |
| Total number of observations | 104974 | 1437 | 4022 |
| Number of reflections | 37327 | ||
| <I/σ(I)> | 14.2 | 47.2 | 1.6 |
| Completeness [%] | 92.7 | 99.1 | 74.3 |
| Redundancy | 2.8 | 2.9 | 1.9 |
| CC(1/2) | 0.999 | 0.999 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 8% PEG8K |
