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 form
NADP+-bound form
Data collection
Wavelength (Å)
1.0
1.0
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 reflections
234,961
132,519
No. of unique reflections
65,823
38,351
Multiplicity
3.6 (3.5)
3.5 (3.6)
1 (%) (outer shell)
6.2 (41.3)
8.4 (37.3)
Space group
P21
P21
Unit cell parameters (Å, °)
= 74.88
= 74.78
= 87.72
= 88.11
= 75.72
= 75.67
= 91.37
= 91.36
Refinement
Resolution (Å)
15.00–2.00
15.00–2.40
Number of protein atoms
6418
6446
Number of water molecules
463
405
Number of NADP+ atoms
0
96
2 (%)
22.1
21.7
(%)
24.7
27.9
RMS deviation bond length (Å)
0.0059
0.0071
RMS deviation bond angle (°)
1.264
1.396
Average B-factor (Å)
34.09
34.88
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 ).