Table 1. Crystallographic statistics for PaIMPDH.

Values in parentheses are for the highest resolution shell.

Space group	I4
Unit-cell parameters (Å)	a = b = 115.5, c = 56.4
Resolution (Å)	19.1–2.25 (2.37–2.25)
No. of reflections recorded	86989 (12454)
Unique reflections	16612 (2476)
Completeness (%)	94.6 (97.0)
Multiplicity	5.2 (5.0)
〈I/σ(I)〉	16.3 (4.3)
Wilson B (Å2)	29.3
No. of residues	293
No. of waters	117
R merge † (%)	9.1 (48.9)
R work ‡ (%)	14.8
R free § (%)	19.0
Average B factor (Å2)
Protein	33.7
Waters	38.5
Chloride	72.1
Cruickshank DPI¶ (Å)	0.2
Ramachandran plot
Most favoured (%)	97.3
Additional allowed (%)	2.0
Outliers (%)	0.7
R.m.s.d. from ideal values††
Bond lengths (Å)	0.01
Bond angles (°)	1.5

^† R _merge = , where I_i(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the mean value of I_i(hkl) for all i measurements.

^‡ R _work = , where F _obs is the observed structure factor and F _calc is the calculated structure factor.

^§ R _free is the same as R _cryst except that it was calculated with a subset (5%) of data that were excluded from the refinement calculations.

^¶Diffraction precision index (Cruickshank, 1999 ▶).

^††Engh & Huber (1991 ▶).