Table 1.
hSUN2 | hSUN2-L546M | hSUN2:KASH1 | hSUN2:KASH2 | |
---|---|---|---|---|
Data collection
| ||||
Data set | Native | Selenomethionine | Native | Native |
Space group | R32 | R32 | R32 | R32 |
a, b, c (Å) | 79.6, 79.6, 199.1 | 79.7, 79.7, 200.2 | 79.6, 79.6, 256.4 | 79.3, 79.3, 260.0 |
Wavelength (Å) | 0.9795 | 0.9792 | 0.9792 | 0.9792 |
Resolution range (Å) | 56.7-2.2 (2.3-2.2) | 56.8-2.4 (2.5-2.4) | 85.5-2.3 (2.4-2.3) | 43.3-2.7 (2.8-2.7) |
Total reflections | 72,988 | 56,714 | 49,146 | 52,267 |
Unique reflections | 12,305 | 9,510 | 13,944 | 8,912 |
Completeness (%) | 99.8 (99.9) | 99.6 (99.8) | 99.6 (97.7) | 99.9 (99.8) |
Redundancy | 5.9 (6.1) | 3.1 (3.1) | 3.5 (3.4) | 5.9 (6.1) |
Rmerge(%) | 4.8 (57.0) | 4.6 (65.0) | 7.6 (70.7) | 5.5 (69.5) |
Rr.i.m.(%) | 5.3 (62.3) | 6.6 (78.8) | 9.0 (83.3) | 6.1 (76.1) |
Rp.i.m.(%) | 2.1 (24.8) | 2.7 (31.8) | 4.7 (43.4) | 2.5 (30.7) |
I /σ | 20.0 (3.5) | 22.2 (2.5) | 24.9 (1.5) | 21.0 (2.7) |
Wilson B factor (Å2) | 53.0 | 57.9 | 45.4 | 66.5 |
| ||||
Refinement
| ||||
Resolution range (Å) | 56.7-2.2 | 45.0-2.3 | 36.1-2.7 | |
Rwork (%) | 18.9 | 19.6 | 18.4 | |
Rfree (%) | 23.3 | 21.1 | 23.9 | |
| ||||
Number of Reflections
| ||||
Total | 12,304 | 13,930 | 8,909 | |
Rfree reflections | 1,250 | 1,393 | 891 | |
| ||||
Number of Atoms
| ||||
Protein | 1,585 | 1,762 | 1,751 | |
Water | 101 | 129 | 41 | |
n-Decyl-β-maltoside | 25 | |||
| ||||
B Factors (Å2)
| ||||
SUN2 | 45.8 | 44.8 | 65.0 | |
KASH | 59.8 | 93.2 | ||
Water | 48.2 | 50.4 | 61.6 | |
n-Decyl-β-maltoside | 71.7 | |||
| ||||
R.m.s. Deviations
| ||||
Bond length (Å) | 0.009 | 0.007 | 0.009 | |
Bond angles (°) | 1.170 | 1.023 | 1.141 | |
| ||||
Ramachandran Plot
| ||||
Favored (%) | 94.5 | 94.5 | 93.1 | |
Allowed (%) | 5.5 | 5.5 | 6.4 | |
Outliers (%) | 0 | 0 | 0.5 |
The highest resolution shell is in parenthesis. Rmerge is the merging R factor. Rr.i.m. is the redundancy independent merging R factor.
Rp.i.m. is the precision-indicating merging R factor. For definitions, see Weiss (2001).