7K27
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20
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 | 2019-03-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.260, 54.590, 123.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.840 - 1.500 |
R-factor | 0.1601 |
Rwork | 0.160 |
R-free | 0.17530 |
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 (1.18.2-3874_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.840 | 34.840 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.044 | 0.024 | 0.629 |
Rmeas | 0.048 | 0.026 | 0.681 |
Total number of observations | 325145 | ||
Number of reflections | 49801 | 648 | 3627 |
<I/σ(I)> | 21.77 | 54.72 | 3.33 |
Completeness [%] | 99.9 | 99.4 | 99.9 |
Redundancy | 6.529 | 5.776 | 6.731 |
CC(1/2) | 0.999 | 0.999 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |