Table 1.
5SWH (VC 151) | 5TEH (VC 156) | 5SYS (VC 245) | |
---|---|---|---|
Space Group | P1 | P1 | P1 |
Molecules | 1 | 1 | 1 |
Cell dimensions | |||
a | 41.82 | 41.79 | 41.81 |
b | 64.14 | 63.59 | 63.86 |
c | 74.91 | 76.07 | 75.63 |
alpha | 77.94 | 76.73 | 77.87 |
beta | 89.5 | 89.93 | 90.1 |
gamma | 89.83 | 89.79 | 89.83 |
Resolution | 73.2-2.5 | 74.0-3.0 | 73.9-2.8 |
R merge | 0.186 | 0.168 | 0.176 |
Rpim | 0.075 | 0.111 | 0.111 |
<I/oI> | 8.5 | 6.0 | 5.7 |
Completeness (%) | 80 (73) | 80 (74) | 87 (74) |
Redundancy | 7.1 | 3.4 | 3.3 |
No. Reflections | 19893 | 11499 | 15434 |
R work/Rfree | 0.241/0.2871 | 0.3069/0.3659 | 0.2857/0.3339 |
No. atoms | |||
protein | 4111 | 4200 | 4128 |
ligand/ion | 62 | 74 | 86 |
water | 62 | 18 | 67 |
B-factors | |||
protein | 53.038 | 77.268 | 64.488 |
ligand/ion | 74 | 52 | 87 |
water | 30 | 52 | 27 |
R.M.S. deviations | |||
Bond lengths | 0.012 | 0.018 | 0.01 |
Bond angles | 1.528 | 2.027 | 1.423 |