Table 1. Data collection and refinement statistics.
| B. halodurans TRAP | B. stearo E71stop TRAP | B. subtilis K71stop TRAP | |
| Data collection | |||
| Space group | P4212 | I4 | I23 |
| Unit cell | a = 109.9 Å, c = 45.7 Å | a = 110.2 Å, c = 128.3 Å | a = 146.35 Å |
| Resolution | 30–1.67 Å (1.73–1.67 Å) | 25–1.49 Å (1.52–1.49 Å) | 25–1.75 Å (1.79–1.75 Å) |
| No. of reflections | 32619 (2996) | 124338 (6184) | 51357 (3760) |
| Redundancy | 8.3 (6.2) | 4.9 (3.7) | 25.4 (22.3) |
| R merge a, % | 9.1 (63.8) | 4.7 (48.1) | 8.9 (58.7) |
| Completeness, % | 98.6 (92.8) | 99.9 (100) | 99.9 (100) |
| I/σ | 19.4 (2.0) | 31.5 (2.7) | 42.9 (6.3) |
| Wilson B factor | 26.8 | 16.8 | 23.9 |
Values in parentheses are for the highest resolution shell.
a
Rmerge = ∑hkl∑i|Ii(h) - <I(h)>|/∑hkl∑i Ii(h), where I(h) is intensity of reflection h, <I(h)> is average value of intensity, the sum ∑hkl is over all measured reflections and the sum ∑i is over i measurements of a reflection.
b
Crystallographic R = ∑hkl||Fobs - Fcalc||/∑hkl|Fobs|, Rfree was calculated using a randomly chosen set of reflections that were excluded from the refinement.