Table S2.

Statistics for mambaquaretin–KA structure determination

PDB code 5M4V
Data collection
Synchrotron source	ESRF, ID29
Wavelength, Å	0.976251
Space group	P4212
Unit-cell parameters, Å	63.86, 63.86, 32.98
Molecules/asymmetric unit	1
Resolution, Å	45.14–1.06
${\mathrm{R}}_{meas}$, %	8.0
${\mathrm{R}}_{factor}$, %	7.8
Mean I/$\sigma$(I)	19.36
${\mathrm{CC}}_{(1/2)}$, %	100.0
Completeness, %	99.9
Multiplicity	23.76
Refinement
Resolution, Å	45.14–1.06
No. reflections	29,915
${\mathrm{R}}_{work}$, %	13.07
${\mathrm{R}}_{free}$, %	15.57
rmsds
Bond lengths, Å	0.029
Bond angles, °	2.709
Ramachandran*
Favored, %	64
Outliers, %	0

PDB code 5M4V. *Values from PDB Validation server.