5S8I
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01186d (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 | 83.073, 27.433, 56.717 |
Unit cell angles | 90.00, 100.44, 90.00 |
Refinement procedure
Resolution | 55.780 - 1.300 |
R-factor | 0.1675 |
Rwork | 0.166 |
R-free | 0.20470 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7av9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.873 |
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] | 55.780 | 55.780 | 1.370 |
High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
Rmerge | 0.028 | 0.018 | 0.393 |
Rmeas | 0.034 | 0.022 | 0.506 |
Rpim | 0.019 | 0.012 | 0.315 |
Total number of observations | 93983 | 3191 | 10243 |
Number of reflections | 31146 | ||
<I/σ(I)> | 19 | 58.3 | 2.4 |
Completeness [%] | 99.1 | 97.7 | 97.8 |
Redundancy | 3 | 3 | 2.3 |
CC(1/2) | 0.999 | 0.999 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 17% PEG8K |