5S8J
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01207d (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 | 82.930, 27.340, 56.760 |
Unit cell angles | 90.00, 100.33, 90.00 |
Refinement procedure
Resolution | 25.940 - 1.210 |
R-factor | 0.1458 |
Rwork | 0.144 |
R-free | 0.17480 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7av9 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.997 |
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] | 25.920 | 25.920 | 1.150 |
High resolution limit [Å] | 1.130 | 6.090 | 1.130 |
Rmerge | 0.023 | 0.019 | 0.698 |
Rmeas | 0.028 | 0.024 | 0.985 |
Rpim | 0.016 | 0.014 | 0.695 |
Total number of observations | 114680 | 965 | 1298 |
Number of reflections | 43288 | ||
<I/σ(I)> | 13.5 | 36.7 | 1.5 |
Completeness [%] | 91.6 | 93.3 | 49.7 |
Redundancy | 2.6 | 3 | 1.1 |
CC(1/2) | 0.999 | 0.998 | 0.396 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 18% PEG8K |