6C7R
BRD4 BD1 in complex with compound CF53
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-19 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.377, 41.471, 47.981 |
| Unit cell angles | 90.00, 94.87, 90.00 |
Refinement procedure
| Resolution | 17.710 - 1.500 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lyi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.047 | 0.038 | 0.114 |
| Rmeas | 0.053 | 0.042 | 0.126 |
| Rpim | 0.023 | 0.019 | 0.053 |
| Total number of observations | 101260 | ||
| Number of reflections | 18133 | 817 | 876 |
| <I/σ(I)> | 18.7 | ||
| Completeness [%] | 95.1 | 80.7 | 94.4 |
| Redundancy | 5.6 | 4.9 | 5.7 |
| CC(1/2) | 0.996 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% peg 3350, 0.2M Potassium Chloride |
