6G0H
BRD4 (BD1) in complex with APSC-derived ligands (e.g. SSLH01 a sulfasalazine derivate)
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 | 2017-07-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.7699 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 39.426, 108.102, 30.219 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.039 - 1.907 |
R-factor | 0.1866 |
Rwork | 0.184 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
Data reduction software | XDS (1.11.2016) |
Data scaling software | XSCALE (1.11.2016) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.13rc1-2961) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.039 | 37.039 | 1.960 |
High resolution limit [Å] | 1.907 | 8.540 | 1.910 |
Rmerge | 0.085 | 0.031 | 0.544 |
Rmeas | 0.088 | 0.033 | 0.583 |
Number of reflections | 9903 | 152 | 510 |
<I/σ(I)> | 22.49 | 68.01 | 2.88 |
Completeness [%] | 93.3 | 99.3 | 68.2 |
Redundancy | 8.484 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.1 M sodium acetate anhydrous pH 4.6 and 3.5 M sodium formate, cryo protection: 25% ethylene glycol |