TABLE 3.

Statistics of data collection and refinement for Cav⁻ FBPase

	Fru-2,6-P2 complex	AMP complex
Space group	I222	P21212
Unit cell lengths (Å)	54.00, 81.22, 165.06	60.24, 164.29, 79.14
Unit cell angles (degrees)	90, 90, 90	90, 90, 90
Resolution limit (Å)	3.00	2.75
No. of measurements	26,045	50,125
No. of unique reflections	7478	17,334
Completeness of data (%)
Overall	98.4	82.0
Last shell/resolution range (Å)	99.9/3.11–3.00	85.5/2.85–2.75
Rsyma
Overall	0.163	0.100
Last shell/resolution range (Å)	0.516/3.11–3.00	0.272/2.85–2.75
No. of reflections in refinement	7104	16,412
Number of atoms	2489	5399
Number of solvent sites	88	281
Rfactorb	0.229	0.203
Rfreec	0.284	0.262
Mean B (Å2) overall/protein	54/54	22/22
Mean B (Å2) for Fru-2,6-P2	47
Mean B (Å2) for AMP		29
Root mean square deviations
Bond lengths (Å)	0.026	0.023
Bond angles (degrees)	1.8	1.8
Ramachandran statistics
Preferred (%)	98.6	98.7
Outlier (%)	0	0

^a R_sym = Σ_jΣ_i|I_ij − 〈I_j〉|/Σ_iΣ_jI_ij, where i runs over multiple observations of the same intensity, and j runs over all crystallographically unique intensities.

^b R_factor = Σ ‖F_obs| − |F_calc‖/Σ|F_obs|, where |F_obs| > 0.

^c R_free based upon 10% of the data randomly culled and not used in the refinement.