BioMed Research International / 2014 / Article / Tab 1 / Research Article
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 C222
1 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 (Å2 ) Protein atoms 58.0 49.0 Water molecules 54.2 45.6 Model content Protein residues 1464 732 Waters 381 192