7NPZ
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-N5-cyclopropyl-N3-methyl-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-3,5-dicarboxamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.860, 52.310, 31.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.930 - 1.280 |
| Rwork | 0.174 |
| R-free | 0.19330 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in house |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.202 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.930 | 1.310 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Number of reflections | 30641 | 1914 |
| <I/σ(I)> | 15.1 | 1.6 |
| Completeness [%] | 96.8 | 84.8 |
| Redundancy | 4.4 | 2.6 |
| CC(1/2) | 0.998 | 0.492 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |
