32SB
CRYSTAL STRUCTURE OF BRD4-BD1 IN COMPLEX WITH COMPOUND 16
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-30 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.779, 44.596, 78.647 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.690 - 1.810 |
| R-factor | 0.2031 |
| Rwork | 0.201 |
| R-free | 0.23550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.690 | 1.910 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.078 | 0.411 |
| Rmeas | 0.085 | 0.503 |
| Rpim | 0.034 | 0.283 |
| Total number of observations | 71256 | 4035 |
| Number of reflections | 11961 | 1399 |
| <I/σ(I)> | 19.3 | 2.8 |
| Completeness [%] | 96.8 | |
| Redundancy | 6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10 % ethylene glycol, 0.1 M sodium nitrate, 18 %PEG 3350 |
