7LB2
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589
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 | 45.237, 55.001, 121.651 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.120 - 1.700 |
| R-factor | 0.1733 |
| Rwork | 0.172 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ko3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.301 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4085) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.830 | 60.830 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.096 | 0.058 | 1.309 |
| Rmeas | 0.105 | 0.065 | 1.422 |
| Rpim | 0.041 | 0.027 | 0.550 |
| Total number of observations | 225305 | 1407 | 11816 |
| Number of reflections | 34233 | 284 | 1787 |
| <I/σ(I)> | 11.6 | 29.6 | 1.6 |
| Completeness [%] | 99.9 | 99.2 | 99.9 |
| Redundancy | 6.6 | 5 | 6.6 |
| CC(1/2) | 0.998 | 0.996 | 0.532 |
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 |
