6G0D
BRD4 (BD1) in complex with APSC-derived ligands (e.g. LY294002)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.999850 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.295, 42.868, 79.582 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.791 - 1.314 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.793 |
Data reduction software | XDS (1.11.2016) |
Data scaling software | Aimless (CCP4 Package 7.0) |
Phasing software | PHASER (1.10.1-2155) |
Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.791 | 39.791 | 1.350 |
High resolution limit [Å] | 1.314 | 5.880 | 1.314 |
Rmerge | 0.076 | 0.027 | 0.935 |
Rmeas | 0.080 | 0.028 | 1.504 |
Number of reflections | 31937 | 434 | 2271 |
<I/σ(I)> | 20.05 | 72.23 | 1.7 |
Completeness [%] | 98.9 | 99.8 | 96.9 |
Redundancy | 8.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.2 M sodium fluoride, 20 % (w/v) PEG 3350, cryo protection: 20% ethylene glycol |