TABLE 1.
Data collection | APE1531 (4NWT) | APE1551 (4NWU) |
---|---|---|
Space group | C2 | C2 |
Cell dimensions | ||
a, b, c (Å) | 127.72, 64.36, 63.81 | 127.05, 66.25, 63.88 |
α, β, γ (°) | 90.00, 108.67, 90.00 | 90.00, 108.54, 90.00 |
Wavelength (Å) | 0.97830 | 0.97950 |
Resolution (Å) | 40-1.75 (1.80-1.75)a | 50-1.6 (1.63-1.60) |
Rmerge (%) | 4.8 (60.4)a | 6.7 (62.3)a |
〈I/σΙ〉 | 25.3 (2.9)a | 23.9 (2.4)a |
Completeness (%) | 98.5 (97.7)a | 97.9 (96.3)a |
Unique reflections | 49,566 | 64,694 |
Redundancy | 6.9 (6.6)a | 6.6 (5.0)a |
Refinement | ||
Resolution (Å) | 38.6-1.75 | 45.6-1.6 |
No. of reflections work/test | 46,262/2452 | 61,414/3280 |
Rwork/Rfree (%) | 15.0/18.1 | 16.6/19.8 |
r.m.s.d. | ||
Bond lengths (Å) | 0.019 | 0.019 |
Bond angles (°) | 1.99 | 1.98 |
Ramachandran statistics | ||
Favored/allowed/outliers (%) | 97.4/2.3/0.2 | 96.5/3.5/0.0 |
a Highest resolution shell is shown in parentheses.