5S8N
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (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 | 82.830, 27.340, 56.590 |
| Unit cell angles | 90.00, 99.61, 90.00 |
Refinement procedure
| Resolution | 40.830 - 1.230 |
| R-factor | 0.1651 |
| Rwork | 0.164 |
| R-free | 0.19070 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.914 |
| 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] | 40.830 | 40.830 | 1.260 |
| High resolution limit [Å] | 1.230 | 5.500 | 1.230 |
| Rmerge | 0.023 | 0.018 | 0.600 |
| Rmeas | 0.028 | 0.022 | 0.798 |
| Rpim | 0.015 | 0.013 | 0.519 |
| Total number of observations | 101587 | 1241 | 4802 |
| Number of reflections | 34399 | ||
| <I/σ(I)> | 21.2 | 67.4 | 1.5 |
| Completeness [%] | 93.5 | 96 | 83.7 |
| Redundancy | 3 | 2.9 | 2.1 |
| CC(1/2) | 0.999 | 0.999 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 14% PEG8K |
