Table 1. Summary of crystallographic information.
Haloxyfop complex | Diclofop complex | Free enzyme | L17051/V19671 | |
---|---|---|---|---|
Maximum resolution, Å | 2.8 | 2.5 | 2.5 | 2.6 |
No. of observations | 285,486 | 584,662 | 420,147 | 315,564 |
Rmerge,* % | 9.3 (28.8) | 7.6 (31.7) | 6.9 (31.4) | 5.0 (25.6) |
Resolution range for refinement | 27-2.8 | 30-2.5 | 27-2.5 | 28-2.6 |
No. of reflections | 96,167 | 88,661 | 130,501 | 117,132 |
Completeness, % | 88 (74) | 96 (89) | 86 (64) | 87 (69) |
R factor,† % | 21.8 (27.9) | 21.7 (26.1) | 21.9 (26.7) | 21.2 (27.0) |
Free R factor,† % rms deviation | 25.2 (30.9) | 24.8 (29.5) | 25.0 (29.0) | 23.7 (28.9) |
Bond lengths, Å | 0.009 | 0.007 | 0.007 | 0.007 |
Bond angles, ° | 1.2 | 1.2 | 1.2 | 1.1 |
Rmerge = Σh Σt|Ihi — <Ih>|/Σh Σt Ihi. The numbers in parentheses are for the highest-resolution shell.
R = Σh|Fho — Fhc|/ΣhFho.