As I am trying to create a bot for a yatzee game I came across this and thought I'll give my 2 cents.
I usually take the 1 and x and keep 3,4,5.
You have 2 throws to accomplish the large straight.
In the first throw you need either 1,2 or 2,6. With 6X6 there are 36 combinations of wich 4 are the once you exactly need. There is a small chance that you'll get it exactly (4/36)=(1/9) to get: (1,2),(2,1)(2,6)(6,2)
There is however a good change you'll get a 2, any 2 will do, the chance is (11/36). These are better odds than taking the x and try for a 2 (1/6). If you have a 2 then the odds for the 2nd throw double as you now have one dice and need either a 1 or a 6 (2/6).
There is also a good chance to get a 6 or a 1: (22/36), if you have no 2 but have the 6 or 1 then you're second turn has the same odds as initially taking the x and fail in the first try.
Not sure what the calculations are but I get a slightly bigger chance only for not keeping the 1 and throw both 1 and X in the first roll. Here are the calculations:
Throw both 2,6 or 1,2 in either first or second throw
1/9 or 1/9 = 2/9
Throw a 2 in the first and either 1 or 6 in the second. Remove (2,6),(6,2),(1,2) and (2,1) in first throw: that case is mentioned above.
7/36 and 2/6 => 7/36 and 1/3 => (7+1)/(36*3) = 8/108
Throw a 1 or 6 in the first and 2 or 6 in the last. Remove (2,6),(6,2),(1,2), (2,1) because they are used in previous scenarios
12/36 and 1/6 => (12+1)/(216) = 13/216
Chance of success: 2/9 + 8/108 + 17/216 => 48/216 + 16/216 + 13/216
77/216 is about 0.356481
This is probably wrong though because I am not sure how to remove combinations used in previous scenarios from further scenarios second roll.
Keep the 2 go for a 1
1/6 or 1/6 = 2/6 => 1/3
These are the only options you have so about 0.333333