Table 3.
Data Collection and Refinement Statistics for FlK-F36A Structures
| FlK-F36A | FlK-F36A products | |
|---|---|---|
| data collection | ||
| X-ray source | ALS 8.3.1 | ALS 8.3.1 |
| space group | C2 | C2 |
| cell dimensions | ||
| a, b, c (Å) | 141.9, 89.3, 71.4 | 141.0, 88.6, 70.9 |
| α, β, γ (deg) | 90.0, 118.0, 90.0 | 90.0, 118.0, 90.0 |
| wavelength | 1.116 | 1.116 |
| resolutiona | 19.75–2.30 (2.48–2.30) | 72.48–1.90 (1.95–1.90) |
| Rmerge (%)a | 12.6 (40.3)b | 8.9 (66.3) |
| I/σIa | 6.0 (2.5) | 13.37 (2.22) |
| completeness (%)a | 99.7 (99.4) | 95.9 (90.9) |
| redundancya | 4.1 (4.2) | 4.3 (4.1) |
| refinement | ||
| resolution | 19.75–2.30 | 72.48–2.00 |
| no. of reflections | 34432 | 48041 |
| Rwork/Rfree | 0.220/0.247 | 0.218/0.251 |
| no. of atoms | 6660 | 6351 |
| nonsolvent | 6092 | 6081 |
| solvent | 563 | 270 |
| B-factors | ||
| protein | 33.7 | 32.6 |
| water | 38.2 | 40.1 |
| rmsd | ||
| bond lengths (Å) | 0.018 | 0.006 |
| bond angles (deg) | 1.64 | 1.03 |
a
Values in parentheses are for the highest resolution shell.
b
Due to high noncrystallographic symmetry, Rpim is reported.