8G6T
Bromodomain of CBP liganded with inhibitor iCBP2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2021-10-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.580, 55.910, 69.670 |
| Unit cell angles | 93.06, 103.16, 106.53 |
Refinement procedure
| Resolution | 33.650 - 1.750 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS (Jan 10, 2022) |
| Data scaling software | XSCALE (Jan 10, 2022) |
| Phasing software | PHENIX (1.20.1-4487) |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.650 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.151 | 0.244 |
| Number of reflections | 44573 | 3239 |
| <I/σ(I)> | 6.4 | 3.9 |
| Completeness [%] | 91.4 | 89.3 |
| Redundancy | 2.6 | 2.6 |
| CC(1/2) | 0.963 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris pH 8.5, 20% w/v Polyethylene glycol monomethyl ether 2,000 |
