|
EcppnP |
EcppnP-SeMet |
PappnP |
StppnP |
VcppnP |
Data collection |
|
|
|
|
|
Wavelength |
0.97915 |
0.97915 |
0.97915 |
|
|
Space group |
P62 |
P62 |
P3221
|
P31
|
P41212 |
Cell dimensions |
|
|
|
|
|
a, b, c (Å) |
59.89, 59.89, 52.15 |
59.66, 59.66,
52.65 |
61.60, 61.60, 96.48 |
34.57, 34.57, 124.89 |
55.24, 55.24,
111.85 |
α, β, γ (°) |
90, 90, 120 |
90, 90, 120 |
90, 90, 120 |
90, 90, 120 |
90, 90, 90 |
Resolution (Å) |
50.0-1.38 (1.43-1.38)* |
50-1.38 (1.43-1.38) |
30.0-1.50 (1.55-1.50) |
50.0-1.20(1.24-1.20) |
50.0-1.38
(1.43-1.38) |
Rmerge
|
0.084 (0.196) |
0.077 (0.505) |
0.103
(0.740) |
0.070 (0.198) |
0.112 (0.901) |
I / σI
|
37.3 (18.7) |
36.41 (7.00) |
30.88 (6.75) |
19.558 (7.824) |
26.33 (1.67) |
Completeness (%) |
99.9 (99.5) |
100.0 (100.0) |
97.6 (96.3) |
99.7
(98.8) |
99.6 (97.1) |
Redundancy |
19.9 (19.1) |
19.8 (19.4) |
20.0 (19.1) |
4.3 (4.2) |
12.5
(6.4) |
Refinement |
|
|
|
|
|
Resolution (Å) |
20.0-1.38 |
20.0-1.38 |
20.0-1.50 |
20.0-1.20 |
20.0-1.38 |
No. reflections |
21,825 |
21,787 |
33, 684 |
51507 |
35447 |
Rwork / Rfree
|
0.1522/0.1780 |
0.1507/0.1688 |
0.1794/0.2127 |
0.1738/0.1893 |
0.2054/0.2248 |
No. atoms |
891 |
904 |
1,801 |
1,649 |
1,601 |
Protein |
760 |
753 |
1,494 |
1,449 |
1,491 |
Ligand/Water |
131 |
151 |
307 |
200 |
110 |
B-factors |
15.61 |
16.32 |
17.32 |
17.69 |
17.35 |
R.m.s. deviations |
|
|
|
|
|
Bond lengths (Å) |
0.005 |
0.005 |
0.008 |
0.004 |
0.006 |
Bond angles (°) |
0.867 |
0.874 |
1.019 |
0.841 |
0.952 |
Ramachandran plot |
|
|
|
|
|
Favored/allowed (%) |
96.77/3.23 |
96.77/3.23 |
98.91/1.09 |
97.85/2.15 |
98.39/1.61 |