7K0D
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to mTORC1/2 inhibitor AZD3147
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.290, 72.380, 77.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.020 - 2.200 |
R-factor | 0.2308 |
Rwork | 0.230 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 7K03 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.020 | 36.020 | 2.310 |
High resolution limit [Å] | 2.200 | 10.060 | 2.250 |
Rmerge | 0.039 | 0.029 | 0.698 |
Rmeas | 0.042 | 0.031 | 0.748 |
Number of reflections | 14496 | 178 | 960 |
<I/σ(I)> | 22.82 | 50.18 | 2.86 |
Completeness [%] | 99.6 | 96.7 | 99.7 |
Redundancy | 7.343 | 5.669 | 7.765 |
CC(1/2) | 0.999 | 0.999 | 0.933 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Ammonium sulfate, 0.1 M MES monohydrate, 30% Polyethylene glycol monomethyl ether 5,000 |