6CKR
Crystal Structure of BRD4 with QC4956
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2013-08-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 30.370, 41.470, 57.660 |
| Unit cell angles | 100.72, 104.83, 90.50 |
Refinement procedure
| Resolution | 36.180 - 1.620 |
| R-factor | 0.1895 |
| Rwork | 0.187 |
| R-free | 0.23830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f63 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.091 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.180 | 36.180 | 1.660 |
| High resolution limit [Å] | 1.620 | 7.250 | 1.620 |
| Rmerge | 0.031 | 0.015 | 0.335 |
| Rmeas | 0.043 | 0.021 | 0.474 |
| Rpim | 0.031 | 0.015 | 0.335 |
| Total number of observations | 53962 | ||
| Number of reflections | 28423 | 334 | 1023 |
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 83.8 | 89.3 | 40.3 |
| Redundancy | 1.9 | 1.9 | 1.7 |
| CC(1/2) | 0.999 | 0.999 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% PEG3350, 50 mM HEPES, pH 7.5 |
