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 |
