| Nativea | Pb Derivative | Glyoxylate Complex | Ternary Complex |
---|---|---|---|---|
Data Collection | Â | Â | Â | Â |
Unit cell dimensions | Â | Â | Â | Â |
   a = b (Å) | 156.4 | 155.4 | 155.0 | 154.8 |
   c (Å) | 141.5 | 139.5 | 141.8 | 142.1 |
   α = β (°) | 90 | 90 | 90 | 90 |
   γ (°) | 120 | 120 | 120 | 120 |
Resolution (Ã…) | 30-2.70 | 30-2.10 | 20-2.51 | 30-1.95 |
 | (2.80-2.70) | (2.18-2.10) | (2.59-2.51) | (2.02-1.95) |
Number of observations | Â | Â | Â | Â |
Total | 104,473 | 271,479 | 75,347 | 401,261 |
Unique | 18,255 | 73,241b | 22,203 | 47,508 |
Redundancy | 5.7 (5.7) | 3.7 (3.6)b | 3.4 (3.2) | 8.4 (7.8) |
Complete (%) | 100.0 (100.0) | 99.5 (100.0) | 98.8 (97.3) | 100.0 (100.0) |
Rsymc | 0.090 (0.383) | 0.103 (0.374) | 0.096 (0.453) | 0.099 (0.806) |
<I/σ(I)> | 14.2 (4.2) | 11.5 (3.3) | 8.7 (2.5) | 15.2 (2.3) |
Wilson B factor (Ã…2) | 68.6 | 33.6 | 56.0 | 33.5 |
Figure of Merit from SOLVE | Â | 0.36 | Â | Â |
Figure of Merit after RESOLVE | Â | 0.71 | Â | Â |
Cullis R factor | Â | 0.74 | Â | Â |
Riso/Rano | Â | 0.285/0.054 | Â | Â |
Refinement | Â | Â | Â | Â |
Rworkd | 0.1984 | Â | 0.1921 | 0.2029 |
Rfreee | 0.2626 | Â | 0.2476 | 0.2390 |
R.m.s. deviations | Â | Â | Â | Â |
   Bond lengths (Å) | 0.014 |  | 0.017 | 0.017 |
   Bond angles (°) | 2.27 |  | 2.07 | 2.47 |
Mean isotropic B factor (Ã…2) | 58.34 | Â | 58.33 | 47.65 |
Φ/Ψ anglesf |  |  |  |  |
   Most favored (%) | 89 |  | 86.3 | 91.8 |
   Additional allowed (%) | 11 |  | 13 | 7.9 |
   Generously allowed (%) | 0 |  | 0.3 (Thr 276) | 0.3 (Glu 24) |
   Disallowed (%) | 0 |  | 0.3 (Glu 24) | 0 |