1. Do I put one male and 2 females or the other way around?
I would go with one male and one female, then if you wish to try another male, take the other one out first. You should never have two same sex snakes in one enclosure.

2. Do I put them in the males tank, females or a separate container?
From what I've seen, and read from this awesome site, you should be fine with either. I think most people here put the male in with the female, but don't quote me on that.

3. What time of day/night do it do it?
As for day or night, I'd think you around night time would be better, since balls are nocturnal. You might also watch for cold fronts coming through.

4. What is some regular/irregular behavior to look for once they are together?
I know if they're 'not getting along' most likely they'll curl up in opposite corners. If you think there might be something going on, look for intertwined tails, one usually under the other.

Good luck!