I’d get the 8 ohm. That allows to add another 8 ohm cabinet.The 4Ω cab is the correct one to use. The rating for the amp is likely 500W peak, while the cab is RMS, so it can handle much higher peaks. And in general, there's nothing wrong with a power mismatch, so long as you aren't driving things into distortion. And that's true for underpowered amps as well as overpowered ones.
The 4 ohm single cabinet will not be of any benefit.