How to reproduce CAA SERVFAIL? Works for me, doesn't for LE staging or prod

Have you tried with https://unboundtest.com/ ? You could run your own Unbound instance with a similar config as well.

One thing to note is that you aren't testing with DNSSEC validation which is often a source of SERVFAILs, especially in conjunction with CAA. For instance our CAA docs page's section on SERVFAIL errors mentions one PowerDNS bug that manifested with DNSSEC and CAA records.