Table 1. Data Collection and Refinement Statistics (as Reported in the PDB Validation File).

	clavulanate (3 min soak)	clavulanate (10 min soak)	sulbactam	tazobactam	avibactam	S70A DTT	S70A	S70C
PDB	6H2C	6H2G	6H2K	6H2I	6H2H	6H2A	6H28	6H27
space group	P1	P1	P1	P1	P1	P43212	P1	P1211
a (Å)	39.65	39.40	39.71	39.63	39.52	108.9	39.59	39.60
b (Å)	41.98	41.31	41.95	41.52	41.32	108.9	41.70	76.41
c (Å)	76.92	76.22	76.93	76.42	76.36	60.5	76.76	79.32
α (deg)	78.41	75.67	105.10	103.83	104.83	90.00	101.31	90.00
β (deg)	89.95	89.96	89.95	89.99	90.03	90.00	90.02	90.70
γ (deg)	89.75	89.26	90.81	90.79	91.18	90.00	90.05	90.00
observations	78782	14467	139386	18477	202279	714649	458598	389254
unique reflections	34426	9073	73926	10698	51765	52631	128440	58936
completeness (%)	94.4	79.2	85.9	84.3	87.0	99.6	83.8	99.8
Rpim (%), CC(1/2) highest resolution bin	0.348, 0.709	0.122, 0.881	0.066, 0.512	0.127, 0.949	0.652, 0.578	0.679, 0.701	0.678, 0.452	0.538, 0.762
(I/σ(I))	4.4	5.0	8.4	9.5	5.8	1.7	7.4	9.7
multiplicity	2.3	1.6	1.9	1.7	3.91	13.6	3.6	6.6
resolution range (Å), highest	41.12–1.93, 1.98–1.93	40.03–2.80, 2.87–2.80	40.50–1.90, 1.95–1.90	40.32–2.72, 2.79–2.72	73.82–1.62, 1.66–1.62	49.73–2.54, 2.61–2.54	40.89–1.19, 1.22–1.19	79.31–1.63, 1.67–1.63
R factor (%)	24.2	22.5	19.2	21.0	22.3	23.3	19.2	24.2
Rfree (%)	28.5	29.1	23.4	26.6	25.8	25.9	22.6	28.1
average B, all atoms (Å2)	14.0	28.0	12.0	25.0	15.0	64.0	14.0	17.0
rms Z-Scores
bond lengths	0.70	0.60	0.95	0.56	0.89	0.69	0.90	0.91
bond angles	0.89	0.80	1.02	0.77	0.99	0.91	1.06	1.06
Number of Atoms
total	4210	4098	4490	4084	4254	6046	4322	4219
protein (Ch. A, B, C)	2013, 2013	2030, 2013	2040, 1993	2025, 2005	2028, 2016	1995, 2014, 1853	2063, 2042	2033, 2021
ligands	22	10	30	40	51
DTT						32
glycerol	6		18			24	6
phosphate						30
acetate	19	20	20	8
Tris						22
PEG	25		42		21		24	20
water	112	25	347	6	138	53	187	145
Ramachandran Plot (%)
preferred regions	98	93.8	97	97	98	97	98	98
allowed regions	2	6	3	3	2	3	2	2
outliers	0	0.2	0	0	0	0	0	0