Table 1. Data-processing statistics for G. cingulata cutinase crystals.
Values in parentheses are for the highest resolution shell.
| Apo cutinase | Inhibitor complexes | |||
|---|---|---|---|---|
| Form A | Form B | E600 | PETFP | |
| Space group | P21 | P41212 or P43212 | P21 | P212121 |
| Unit-cell parameters (Å, °) | a = 60.0, b = 34.7, c = 71.1, β = 92.9 | a = b = 60.0, c = 86.4 | a = 73.5, b = 117.4, c = 95.2, β = 103.6 | a = 43.3, b = 88.3, c = 123.7 |
| Resolution range | 20.0–3.1 (3.27–3.1) | 28.0–1.8 (1.9–1.8) | 20.0–2.6 (2.7–2.6) | 37.0–2.3 (2.4–2.3) |
| Unique reflections | 13332 (1841) | 15325 (2182) | 47279 (6694) | 21478 (3049) |
| Completeness (%) | 97.1 (98.8) | 99.9 (100.0) | 98.0 (95.9) | 98.8 (97.7) |
| Multiplicity | 2.5 (2.3) | 6.5 (6.4) | 2.9 (2.4) | 5.4 (5.2) |
| 〈I/σ(I)〉 | 8.0 (4.7) | 24.4 (3.6) | 9.4 (2.3) | 16.8 (2.7) |
| Rmerge† (%) | 14.1 (19.8) | 6.2 (43.7) | 12.2 (41.6) | 8.8 (53.0) |
†
R
merge = 
.