Crystallographic data |
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|
|
|
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Space group |
P21212 |
P21212 |
P21212 |
P21212 |
P21212 |
Unit cell parameters a,b,c (Å) |
58.19, 73.05, 30.46 |
58.88, 73.08, 30.19 |
58.40, 73.02, 30.40 |
58.22, 73.09, 30.45 |
58.32, 73.19, 30.50 |
Resolution (Å) |
50.00–2.80 (2.85–2.80) |
50.00–2.10 (2.14–2.10) |
50.00–2.70 (2.75–2.70) |
50.00–2.00 (2.03–2.00) |
50.00–1.90 (1.93–1.90) |
Rmerge
|
17.0 (51.6) |
13.4 (50.9) |
10.0 (34.5) |
9.0 (36.2) |
12.1 (52.6) |
Mean (I/σ(I)) |
10.8 (4.1) |
14.5 (3.6) |
17.5 (4.8) |
19.6 (4.1) |
14.8 (2.6) |
Completeness (%) |
99.7 (100.0) |
99.9 (100.0) |
98.3 (100.0) |
99.2 (98.5) |
99.9 (99.4) |
Number of unique reflections |
3500 |
8123 |
3909 |
9347 |
10860 |
Average multiplicity |
6.7 (6.8) |
6.9 (6.9) |
6.8 (6.6) |
7.0 (7.1) |
7.0 (6.5) |
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Refinement statistics |
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Number of reflections used for refinement |
3315 |
7269 |
3660 |
8806 |
10284 |
Reflections marked for Rfree
|
150 |
352 |
170 |
442 |
521 |
Number of atoms (protein/ligand and ion/solvent) |
1084/15/32 |
1084/20/114 |
1084/21/51 |
1084/25/135 |
1084/25/155 |
Rwork/Rfree
|
22.1/28.5 |
18.6/23.5 |
21.7/28.8 |
18.9/22.7 |
18.3/23.4 |
Average B-factor (Å2) |
30.08 |
20.36 |
27.43 |
20.84 |
16.44 |
Average B-factor for carbohydrate (Å2) |
36.4 |
30.1 |
48.2 |
35.9 |
28.5 |
Root mean square deviation bond length (Å) |
0.006 |
0.008 |
0.005 |
0.007 |
0.008 |
Root mean square deviation bond angle (°) |
0.89 |
1.07 |
0.83 |
1.05 |
1.13 |
Ramachandran plot (%) |
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Favored/additional allowed/generously allowed/outliers |
85.7/13.4/0.9/0.0 |
89.3/9.8/0.9/0.0 |
90.2/9.8/0.0/0.0 |
89.3/9.8/0.9/0.0 |
91.1/8.0/0.9/0.0 |