5S8C
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00322e (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 | 83.100, 27.510, 56.720 |
| Unit cell angles | 90.00, 100.14, 90.00 |
Refinement procedure
| Resolution | 36.200 - 1.250 |
| R-factor | 0.1394 |
| Rwork | 0.138 |
| R-free | 0.17690 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.845 |
| 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] | 36.170 | 36.170 | 1.180 |
| High resolution limit [Å] | 1.160 | 6.350 | 1.160 |
| Rmerge | 0.027 | 0.013 | 0.600 |
| Rmeas | 0.033 | 0.016 | 0.821 |
| Rpim | 0.018 | 0.008 | 0.557 |
| Total number of observations | 112361 | 853 | 1876 |
| Number of reflections | 38652 | ||
| <I/σ(I)> | 12.8 | 38.7 | 0.9 |
| Completeness [%] | 87.9 | 91.6 | 46.4 |
| Redundancy | 2.9 | 3.1 | 1.9 |
| CC(1/2) | 0.999 | 1.000 | 0.508 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 9% PEG8K |
