Table 1. X-ray Data Collection, Scaling, and Refinement Statistics.

	crystal
	Mos1 + Raltegravir (10 mM MgCl2 )		Mos1 + Raltegravir (10 mM MnCl2 )
PDB ID	4MDB		4MDA
space group	P4(1)2(1)2		P4(1)2(1)2
cell dimensions	a,b = 44.2, c = 206.3 Å		a,b = 44.6, c = 209.6 Å
wavelength (Å)	0.9795		0.9795		1.8961
	overall	outer shell	overall	outer shell	overall	outer shell
resolution (Å)	44.2–1.7	1.8–1.7	43.6–1.7	1.79–1.7	43.6–2.13	2.25–2.13
Rmerge	0.065	0.302	0.071	0.248	0.066	0.138
total observations	129702	17666	166470	24181	106759	15206
unique observations	23539	3320	24487	3466	12671	1794
⟨I⟩/σ⟨I⟩	14.5	4.7	16.7	6.6	21.9	13.0
completeness (%)	99.7	99.9	100.0	100.0	99.9	100.0
multiplicity	5.5	5.3	6.8	7.0	8.4	8.5
anomalous completeness (%)					99.9	100.0
anomalous multiplicity					4.6	4.5
Rwork	0.197		0.197
Rfree	0.241		0.242
rmsd from ideality
bond length (Å)	0.019		0.019
bond angle (deg)	2.08		2.05
chirality (Å)	0.232		0.259
Ramachandran plot
preferred (%)	97.9		96.7
allowed (%)	2.1		3.3
outliers (%)	0		0
av B factor (Å2)	25.7		19.6
no. of metal ions	2		2