7LB1
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585
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 | 2020-12-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.167, 54.665, 122.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.720 - 1.350 |
R-factor | 0.1636 |
Rwork | 0.163 |
R-free | 0.17950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7k03 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.773 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4085) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.020 | 61.020 | 1.370 |
High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
Rmerge | 0.065 | 0.052 | 0.713 |
Rmeas | 0.071 | 0.057 | 0.774 |
Rpim | 0.028 | 0.023 | 0.297 |
Total number of observations | 434274 | 2781 | 21740 |
Number of reflections | 67147 | 497 | 3308 |
<I/σ(I)> | 13.1 | 28 | 2.5 |
Completeness [%] | 99.8 | 99.5 | 99.9 |
Redundancy | 6.5 | 5.6 | 6.6 |
CC(1/2) | 0.998 | 0.997 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.15 M MgCl2, 0.1 M Bis-Tris pH 5.5, 15% PEG 3350 |