TABLE 1.

Data collection and refinement statistics

Data set	Value for indicated complex:f
	PBP 2X-biapenem	PBP 2X-tebipenem	PBP 1A-biapenem	PBP 1A-tebipenem
Unit cell parameters
a (Å)	106.79	107.31	185.70	185.75
b (Å)	171.91	172.06	50.67	50.28
c (Å)	88.67	88.80	110.78	109.54
Data collection statisticsa
Resolution (Å)	2.50 (2.58-2.50)	2.80 (2.90-2.80)	3.00 (3.11-3.00)	2.70 (2.80-2.70)
Total no. of reflections	282,689	231,874	73,665	131,215
No. of unique reflections	53,714	41,099	19,127	29,074
Completeness (%)	92.7 (90.1)	99.7 (99.1)	88.1 (91.5)	100.0 (99.6)
Redundancy	5.3 (4.8)	5.6 (5.3)	3.9 (3.6)	4.5 (4.3)
Rmergeb (%)	5.9 (22.8)	7.0 (24.0)	13.0 (35.0)	12.3 (36.4)
<I/σ(I)>c	18.9 (5.5)	14.4 (4.9)	6.2 (2.8)	7.2 (2.7)
Refinement statistics
Total no. of atoms	10,016	9,786	6,362	6,398
Rcrystd (%)	23.5	22.5	22.2	22.8
Rfreee (%)	28.1	27.4	27.6	27.1
RMSD from ideal
Bond length (Å)	0.007	0.007	0.007	0.007
Bond angle (°)	1.0	1.0	1.0	1.0
Avg B factor (Å2)	48.0	60.0	50.5	42.0
Ramachandran plot
Most favored (%)	88.4	87.4	87.1	89.9
Additional allowed (%)	11.0	12.1	12.5	9.5
Generously allowed (%)	0.2	0.5	0.4	0.6
Disallowed (%)	0.4	0.0	0.0	0.0

^aValues in parentheses are for the shell with the highest resolution.

^bR_merge = Σ_hklΣ_i|I_hkl,i − <I_hkl>|/Σ_hklΣ_i<I_hkl>, where I_hkl,i represents the ith measurement of the intensity of the hkl reflection and its symmetry equivalent and <I_hkl> is the average intensity of the hkl reflection.

^cAverages of the diffraction intensities divided by their standard deviations.

^dR_cryst = Σ_hkl‖F_o| − |F_c‖/Σ_hkl|F_o|, where |F_o| and |F_c| are the observed and calculated structure factor amplitudes, respectively, for reflection hkl.

^eR_free is the same as R_cryst for a random 5% of reflections excluded from refinement.

^fAll complexes are in space group P2₁2₁2.