7LB3
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-580
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-24 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5417 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.755, 57.239, 59.069 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.110 - 1.900 |
R-factor | 0.1895 |
Rwork | 0.189 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jsp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.221 |
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] | 41.110 | 41.110 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.076 | 0.035 | 1.510 |
Rmeas | 0.082 | 0.039 | 1.652 |
Rpim | 0.031 | 0.017 | 0.658 |
Total number of observations | 89481 | 756 | 5013 |
Number of reflections | 13028 | 149 | 821 |
<I/σ(I)> | 16.9 | 40.9 | 1.3 |
Completeness [%] | 99.9 | 97 | 99.9 |
Redundancy | 6.9 | 5.1 | 6.1 |
CC(1/2) | 0.999 | 0.998 | 0.679 |
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 |