5KTU
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-01 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | H 3 |
| Unit cell lengths | 125.220, 125.220, 39.789 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.610 - 1.380 |
| R-factor | 0.1926 |
| Rwork | 0.192 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.421 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 62.610 |
| High resolution limit [Å] | 1.380 |
| Number of reflections | 47773 |
| <I/σ(I)> | 22.7 |
| Completeness [%] | 99.7 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M magnesium chloride, 0.1 M Bis-Tris pH 6.5, and 25% polyethylene glycol (PEG) 3350 |
