You make it work as root by leaving the configuration alone.

    MacUser2525:~$ cat .ssh/id_rsa.pub 
    ssh-rsa AAAAB3N
    MacUser2525:~$ ssh [email protected]
    Linux buster-raspi 5.9.0-0.bpo.5-arm64 #1 SMP Debian 5.9.15-1~bpo10+1 (2020-12-31) aarch64

    The programs included with the Debian GNU/Linux system are free software;
    the exact distribution terms for each program are described in the
    individual files in /usr/share/doc/*/copyright.

    Debian GNU/Linux comes with ABSOLUTELY NO WARRANTY, to the extent
    permitted by applicable law.
    Last login: Tue Feb 23 22:22:43 2021 from fe80::1003:5492:80fa:2bc5%eth0
    root@buster-raspi:~# cat  .ssh/authorized_keys 
    ssh-rsa AAAAB3NzaC1

With this setting you enabled you have allowed root to login with a password.


    root@buster-raspi:~# cat /etc/ssh/sshd_config | grep Root
    #PermitRootLogin prohibit-password
    # the setting of "PermitRootLogin without-password".

These are not needed to be changed as well.


    root@buster-raspi:~# cat /etc/ssh/sshd_config | grep Pubkey
    #PubkeyAuthentication yes
    root@buster-raspi:~# cat /etc/ssh/sshd_config | grep Authorized
    #AuthorizedKeysFile	.ssh/authorized_keys .ssh/authorized_keys2
    #AuthorizedPrincipalsFile none
    #AuthorizedKeysCommand none
    #AuthorizedKeysCommandUser nobody

In short I have nothing set that you do only the defaults that load, the contents of my `id_rsa.pub` in the `/root/.ssh/authorized_keys` file allows me to login as root. At least the guide you follow has not told you to change the port. This will only work if the root user is enabled on your Pi I see nothing saying you did this.

    sudo passwd root

That sets your root password and enables the root user.