Table I.

Crystallographic Data Collection and Refinement Statistics

	PR1N
Space group	P212121
a (Å)	45.94
b (Å)	53.37
c (Å)	66.09
Resolution range	50–1.09
Total observations	233,527
Unique reflections	64,819
Completeness	93.0 (57.6)a
<I/σ(I)>	14.1 (2.2)
Rsym (%)b	9.6 (33.6)
Refinement resolution range	10–1.09
R (%)c	16.48
Rfree (%)d	21.68
Number of solvent	146.3
Mean B-factor (Å2)
Main chain	12.2
Side chain	19.2
Inhibitor	10.5
Solvent	27.3
RMS deviations from ideality
Bond length (Å)	0.013
Angle distance (Å)	0.035

^aValues in parentheses are given for the highest resolution shell (1.11–1.09).

^bR_sym = Σ_hkl|I_hkl − 〈I_hkl〉|/Σ_hklI_hkl.

^cR = Σ||F_obs| − |F_cal||/Σ|F_obs|.

^dR_free = Σ_test||F_obs| − |F_cal||/Σ_test|F_obs|.