Table 4.

Crystallographic statistics

	Creatine/nucleotide complex
Data processing
Space group	P212121
Unit cell dimension	a = 64.1 Å, b = 65.3 Å, c = 85.8 Å
No. of monomers per asymmetrical unit	1
Resolution range (outer shell)	50–1.45 (1.50–1.45)
Number of observations	846,244
Number of unique reflections	64,209
Completeness (outer shell)	89.6 (99.6)
Rsym (outer shell)	10.1 (44.5)
I/σ (outer shell)	32 (3.8)
Structural refinement
Resolution range (Å)	10–1.45
Rwork/Rfree	19.7/23.7%
R.m.s. deviations from ideal values
Bond length (Å)	0.015
Bond angles (°)	1.8
Agreement of (φ,ψ) with Ramachandran plot
Favored region (disallowed)	92.9% (0%)
Mean B value (Å2)
Phosphagen substrate	creatine : 34.6
Protein	(2816 atoms) 15.6
Main-chain atoms	13.3
Side-chain atoms	17.9
Water molecules	23.4 (431)