32RY
CRYSTAL STRUCTURE OF BRD4-BD1 IN COMPLEX WITH COMPOUND 14
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 | IMAGE PLATE |
| Collection date | 2011-11-17 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.230, 44.320, 77.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.320 - 1.920 |
| R-factor | 0.1842 |
| Rwork | 0.182 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| 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] | 22.320 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.135 | 0.578 |
| Rmeas | 0.146 | 0.628 |
| Rpim | 0.056 | 0.240 |
| Total number of observations | 68738 | 9580 |
| Number of reflections | 10296 | 1460 |
| <I/σ(I)> | 11.5 | 3.4 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | 6.6 |
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 |
