5IBN
Ultra high resolution crystal structure of the apo- form of second bromodomain of BRD2.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.7293 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 32.080, 52.460, 71.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.940 |
| R-factor | 0.12921 |
| Rwork | 0.128 |
| R-free | 0.14510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e3k |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.614 |
| Data reduction software | MOSFLM (7.1.0) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | Phaser_MR |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.240 | 0.990 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Rmerge | 2.268 | |
| Number of reflections | 78817 | |
| <I/σ(I)> | 9.5 | 1 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 8 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 300 | 30% PEG MME 2000, 20% glycerol, 50mM NaCl, 50mM Tris pH 7.5 |
