5S8K
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01225c (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 | 82.600, 27.430, 56.510 |
| Unit cell angles | 90.00, 99.83, 90.00 |
Refinement procedure
| Resolution | 40.730 - 1.240 |
| R-factor | 0.1581 |
| Rwork | 0.157 |
| R-free | 0.19150 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.220 |
| 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] | 40.690 | 40.690 | 1.150 |
| High resolution limit [Å] | 1.130 | 6.190 | 1.130 |
| Rmerge | 0.032 | 0.025 | 0.660 |
| Rmeas | 0.038 | 0.031 | 0.932 |
| Rpim | 0.021 | 0.017 | 0.658 |
| Total number of observations | 115372 | 913 | 1212 |
| Number of reflections | 40833 | ||
| <I/σ(I)> | 10.6 | 29.8 | 0.7 |
| Completeness [%] | 86.6 | 93.2 | 38.2 |
| Redundancy | 2.8 | 3 | 1.4 |
| CC(1/2) | 0.998 | 0.997 | 0.513 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 10% PEG8K |
