| Data collection |
Native |
Apo (SeMet) |
HypBA1-L-Araf |
| Resolution (Å) |
25.00 - 2.78
(2.88 - 2.78) |
25.00 - 2.25
(2.33 - 2.25) |
25.00 - 2.23
(2.31 - 2.23) |
| Space group |
P3221 |
P3221 |
P3221 |
| Unit-cell a,b,c (Å) |
75.9, 75.9, 254.0 |
75.9, 75.9, 254.6 |
77.6, 77.6, 254.2 |
| No. of Unique reflections |
21797 (2178) |
41517 (4078) |
43124 (4226) |
| Redundancy |
7.6 (9.0) |
7.1 (7.1) |
5.6 (5.7) |
| Completeness (%) |
97.9 (100.0) |
100.0 (100.0) |
97.9 (98.3) |
| Mean I/σ(I) |
36.9 (6.1) |
23.3 (2.6) |
36.2 (4.4) |
| Rmerge (%) |
6.8 (48.8) |
8.1 (49.2) |
5.0 (44.7) |
| Refinement |
| No. ofreflections |
20120 (1778) |
40022 (3803) |
40524 (3318) |
| Rwork (95% of data) |
22.3 (0.34) |
21.5 (30.0) |
20.4 (28.9) |
| Rfree(5% of data) |
27.2 (0.40) |
25.5 (30.7) |
24.4 (32.8) |
| Geometry deviations |
|
|
|
| Bond lengths (Å) |
0.005 |
0.004 |
0.008 |
| Bond angles (°) |
1.15 |
1.06 |
1.38 |
| Ramachandranplot (%) |
|
|
|
| Most favored |
90.9 |
95.9 |
95.9 |
| Allowed |
8.6 |
3.9 |
3.7 |
| Disallowed |
0.5 |
0.2 |
0.4 |
| No. of atoms / meanB-values (Å2) |
|
|
|
| Protein atoms |
4971 / 66.8 |
5018 / 44.2 |
5152 / 52.2 |
| Water molecules |
58 / 57.8 |
279 / 43.6 |
312 / 57.8 |
| zinc ion |
1 / 78.4 |
- |
1 / 44.4 |
| Ligand atoms |
- |
- |
10 / 43.7 |
| PDB ID |
3WRE |
3WRF |
3WRG |
|
