Crystal Structure of a Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii Reveals a Novel Quaternary Assembly in the Nif3 Family

Table 1

Data collection statistics for the MJ0927 crystal. Values in parentheses are for the highest resolution shell. Data of C222₁ form has been used in previous publication [10].

	Se-Met Nif3 (P21 form)			Nif3 (C2221 form)
Data Collection
Wavelength (Å)	Peak	Edge	Remote
	0.9792	0.9793	0.9641	1.0000
Space group		P21		C2221
Unit Cell (Å)		95.60, 77.21, 131.85		81.21, 172.94, 147.42
	Resolution range (Å)	30–2.8 (2.90–2.80)	30–2.7 (2.80–2.68)	30–2.75 (2.85–2.75)	30–2.47 (2.56–2.47)
Total observations	340792 (34238)	189181 (18903)	180913 (18198)	271300 (26582)
Unique reflections	45486 (4505)	51206 (5109)	48495 (4789)	37448 (3692)
Completeness (%)	99.8 (99.8)	99.7 (99.8)	99.7 (99.9)	99.3 (100)
	23.1 (4.4)	16.1 (2.8)	18.2 (2.8)	34.3 (4.6)
(%)	5.9 (33.3)	5.1 (33.6)	4.7 (33.3)	5.3 (46.5)
Refinement
Resolution range (Å)		30–2.68 (2.73–2.68)		30–2.47 (2.53–2.47)
Reflections		51170 (2370)		37404 (2689)
(%) for 90% data		18.8 (26.0)		18.1 (24.1)
(%) for 10% data		25.7 (33.8)		23.6 (35.8)
RMS deviations
Bond lengths (Å)		0.008		0.007
Bond angles (°)		1.13		1.08
Average -factors (Å^2)
Protein atoms		58.0		49.0
Water molecules		54.2		45.6
Model content
Protein residues		1464		732
Waters		381		192