6G0E
BRD4 (BD1) in complex with APSC-derived ligands
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 | 2016-04-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.997100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.482, 46.749, 78.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.145 - 1.613 |
R-factor | 0.2347 |
Rwork | 0.233 |
R-free | 0.26080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
RMSD bond length | 0.003 |
RMSD bond angle | 0.555 |
Data reduction software | XDS (1.11.2016) |
Data scaling software | Aimless (CCP4 Package 7.0) |
Phasing software | PHASER (2.6.1) |
Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.145 | 40.145 | 1.650 |
High resolution limit [Å] | 1.610 | 7.210 | 1.610 |
Rmerge | 0.082 | 0.025 | 1.447 |
Rmeas | 0.085 | 0.026 | 1.381 |
Number of reflections | 16961 | 240 | 1203 |
<I/σ(I)> | 17.71 | 70.68 | 1.93 |
Completeness [%] | 99.9 | 99.6 | 98.3 |
Redundancy | 12.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.1 M sodium acetate pH 4.6, 3.5 M sodium formate, cryo protection: 20% glycero |