Crystal Structures of Two Isozymes of Citrate Synthase from Sulfolobus tokodaii Strain 7

Table 1

Data collection and final refinement statistics.

	ST1805-CS	ST0587-CS
Data collection
Wavelength (Å)	1.0	1.0
Resolution (Å)	30.3–2.0	54.2–2.7
Data completion (%) (outer shell)	95.4 (97.1)	99.8 (99.9)
Number of unique reflections	57694	22985
Multiplicity	3.6	7.1
(%) (outer shell)	8.0 (19.8)	9.7 (47.0)
Space group	P21	P41212
Unit cell (Å)
	Refinement
	Resolution limit (Å)	14.79–2.3	43.0–2.7
	Number of protein atoms	5994	3044
	Number of water molecules	347	40
(%) (outer shell)	19.1	21.7
(%) (outer shell)	23.0	24.6
r.m.s. deviation of bond length (Å)	0.006	0.007
r.m.s. deviation of bond angle (°)	0.70	1.00
Estimated error from Luzzati plot (Å)	0.21	0.33

/, where is the intensity of an individual reflection and is the mean intensity obtained from multiple observations of symmetry related reflections.
/ (9.2% randomly omitted reflections were used for calculation of ).