Table 1. Data-collection and refinement statistics.
| Fragment | KLC2-TPR[A1-B6] | KLC1-TPR[A1-B5] |
|---|---|---|
| PDB code | 5OJF | 5OJ8 |
| Data collection | ||
| Beamline | PX2, Soleil | PX1, Soleil |
| Wavelength (Å) | 0.980097 | 0.978570 |
| Space group | C2 | P62 2 2 |
| Unit-cell parameters | ||
| a, b, c (Å) | 97.62, 116.47, 108.11 | 69.53, 69.53, 199.73 |
| α, β, γ (°) | 90.00, 99.51, 90.00 | 90.00, 90.00, 120.00 |
| Resolution (Å) | 48.14–3.40 (3.59–3.40) | 44.66–2.25 (2.38–2.25) |
| Unique reflections | 16593 (2566) | 14301 (2201) |
| C/C1/2† | 98.8 (63.7) | 100.0 (42.7) |
| R-meas (%) | 23.6 (116.8) | 6.6 (152.4) |
| Mean I/σ(I) | 4.55 (1.08) | 21.25 (1.10) |
| Completeness (%) | 99.2 (95.7) | 98.6 (97.5) |
| Multiplicity | 3.6 (3.9) | 8.6 (5.7) |
| Refinement | ||
| Resolution (Å) | 20.00–3.40 (3.63–3.40) | 34.25–2.25 (2.42–2.25) |
| No. of reflections | 16409 (2984) | 14294 (2733) |
| R-work (%) | 23.2 (22.3) | 20.4 (31.4) |
| R-free‡ (%) | 26.4 (27.8) | 24.0 (38.0) |
| No. of atoms | 6255 | 1702 |
| Mean B value (Å2) | 127.8 | 67.1 |
| R.m.s.d. from ideal | ||
| Bond lengths (Å) | 0.010 | 0.009 |
| Bond angles (Deg) | 1.190 | 0.930 |
| Ramachandran plot ¶ | ||
| Favoured (%) | 91.1 | 98.6 |
| Allowed (%) | 7.3 | 1.4 |
Values in parenthesis are for the highest resolution shells.
†C/C1/2 = ###.
‡Rwork = Σhkl||Fobs|–k|Fcalc||/Σhkl|Fobs| for 95% of the reflection data used in refinement. Fobs and Fcalc are the observed and calculated structure-factor amplitudes, respectively. ‡Rfree is the equivalent of Rwork except that it was calculated for a randomly chosen 5% test set excluded from refinement.
¶ Ramachandran analysis was performed using MolProbity [29].