Research Article

Crystal Structures of the Putative Isocitrate Dehydrogenase from Sulfolobus tokodaii Strain 7 in the Apo and NADP+-Bound Forms

Table 1

Data collection and final refinement statistics.

Apo formNADP+-bound form

Data collection
 Wavelength (Å)1.01.0
 Resolution (Å) (outer shell)2.0 (2.11–2.00)2.40 (2.53–2.40)
 Completeness (%) (outer shell)99.5 (99.8)98.8 (100)
 No. of observed reflections234,961132,519
 No. of unique reflections65,82338,351
 Multiplicity3.6 (3.5)3.5 (3.6)
1 (%) (outer shell)6.2 (41.3)8.4 (37.3)
 Space groupP21P21
 Unit cell parameters (Å, °) = 74.88 = 74.78
 = 87.72 = 88.11
 = 75.72 = 75.67
 = 91.37 = 91.36
Refinement
 Resolution (Å)15.00–2.0015.00–2.40
 Number of protein atoms64186446
 Number of water molecules463405
 Number of NADP+ atoms096
2 (%)22.121.7
(%)24.727.9
 RMS deviation bond length (Å)0.00590.0071
 RMS deviation bond angle (°)1.2641.396
 Average B-factor (Å)34.0934.88

1, where is the intensity of an individual reflection and is the mean intensity obtained from multiple observations of symmetry-related reflections. 2 (9.2% randomly omitted reflections were used for the calculation of ).