Table 2.
Data set | RC2 | HiPIP |
Resolution limits (Å) | 10–2.2 | 10–1.5 |
Highest resolution shell (Å) | 2.3–2.2 | 1.57–1.5 |
Rwork (%)* | 23.1 (30.2) | 21.2 (24.7) |
Rfree (%)* | 28.7 (31.2) | 23.8 (24.8) |
No. of non-H atoms | 10,047 | 667 |
Protein | 9,010 | 616 |
Prosthetic group | 664 | 8 |
Water | 188 | 43 |
Detergent | 136 | |
Lipid | 47 | |
Mean B factors (Å2) | ||
Protein | 34.9 | 7.4 |
Prosthetic group | 27.3 | 5.2 |
Water | 34.8 | 20.3 |
Detergent | 53.1 | |
Lipid | 51.7 | |
rms deviation from idealty | ||
Bond length (Å) | 0.011 | 0.005 |
Bond angle (deg.) | 1.89 | 1.17 |
Dihedral angles (deg.) | 22.9 | 26.7 |
Improper angles (deg.) | 0.87 | 0.70 |
The value for the highest-resolution shell in parenthesis.