6C7Q
BRD4 BD2 in complex with compound CE277
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-16 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 52.176, 72.647, 32.222 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.380 - 1.510 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Previously solved structure in lab |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.900 |
| 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 | 1.540 |
| High resolution limit [Å] | 1.510 | 4.100 | 1.510 |
| Rmerge | 0.067 | 0.037 | 0.324 |
| Rmeas | 0.072 | 0.040 | 0.356 |
| Rpim | 0.026 | 0.014 | 0.143 |
| Total number of observations | 155027 | ||
| Number of reflections | 20228 | 1121 | 1005 |
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.9 | 99.4 | 98.7 |
| Redundancy | 7.7 | 7.3 | 5.8 |
| CC(1/2) | 0.999 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 50-75% peg 400, 0.1M Imidizole, pH 8.0 |
