5S8H
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00964e (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 | 82.580, 27.470, 56.760 |
Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
Resolution | 55.840 - 1.290 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.19980 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7av9 |
RMSD bond length | 0.016 |
RMSD bond angle | 2.062 |
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] | 55.840 | 55.840 | 1.320 |
High resolution limit [Å] | 1.290 | 5.770 | 1.290 |
Rmerge | 0.057 | 0.025 | 0.691 |
Rmeas | 0.069 | 0.031 | 0.893 |
Rpim | 0.038 | 0.018 | 0.560 |
Total number of observations | 92915 | 1134 | 4823 |
Number of reflections | 31423 | ||
<I/σ(I)> | 14.2 | 54.3 | 1.4 |
Completeness [%] | 98.5 | 94.9 | 96.6 |
Redundancy | 3 | 3 | 2.2 |
CC(1/2) | 0.998 | 0.998 | 0.495 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.04M potassium phosphate monobasic -- 12% PEG8K |