7L9K
Crystal structure of the second bromodomain (BD2) of human BRD2 bound to LRRK2-IN-1
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 | 2019-02-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.400, 72.530, 52.680 |
Unit cell angles | 90.00, 119.89, 90.00 |
Refinement procedure
Resolution | 42.020 - 1.950 |
R-factor | 0.1903 |
Rwork | 0.188 |
R-free | 0.22570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7l9g |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4085) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.020 | 42.020 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.066 | 0.035 | 0.425 |
Rmeas | 0.077 | 0.042 | 0.494 |
Total number of observations | 66998 | ||
Number of reflections | 17720 | 201 | 1241 |
<I/σ(I)> | 13.88 | 32.14 | 3.4 |
Completeness [%] | 95.6 | 89.7 | 93.5 |
Redundancy | 3.781 | 3.279 | 3.783 |
CC(1/2) | 0.998 | 0.997 | 0.922 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES 7.5, 2.0 M Ammonium sulfate |