Table II. Data collection and refinement statistics for all other data sets.
| Apo | dTTPa | Thymidine/G-1-P | dTDP–d-glucose | dTDP–l-rhamnosea | |
|---|---|---|---|---|---|
| Data collection | |||||
| wavelength (Å) | 0.934 | 1.542 | 0.934 | 0.934 | 1.542 |
| resolution (highest shell, Å) | 40.49–1.90 (1.99–1.90) | 50.00–2.60 (2.74–2.60) | 36.27–1.87 (1.97–1.87) | 40.49–1.77 (1.86–1.77) | 49.90–2.70 (2.84–2.70) |
| space group | P1 | P21 | P1 | P1 | P212121 |
| cell constants (Å; °) | a = 71.7, b = 73.7, c = 134.5 | a = 73.0, b = 134.4, c = 140.9 | a = 71.3, b = 73.1, c = 133.7 | a = 71.6, b = 73.4, c = 134.3 | a = 71.1, b = 138.6, c = 139.7 |
| α = 90.0, β = 80.9, γ = 80.9 | α = 90.0, β = 98.2, γ = 90.0 | α = 90.0, β = 81.4, γ = 81.6 | α = 89.9, β = 80.6, γ = 80.9 | α = 90.0, β = 90.0, γ = 90.0 | |
| VM | 2.56 | 2.53 | 2.52 | 2.54 | 2.55 |
| total measurements | 377 690 | 310 827 | 333 697 | 483 036 | 260 832 |
| unique reflections | 202 988 | 75 557 | 183 207 | 202 988 | 36 311 |
| average redundancy | 1.9 (1.9) | 4.1 (3.0) | 1.8 (1.3) | 2.0 (1.3) | 7.2 (5.7) |
| I/σ | 9.2 (1.9) | 7.4 (4.6) | 6.9 (2.4) | 7.1 (2.4) | 6.8 (2.9) |
| completeness (%) | 96.1 (95.6) | 91.5 (60.1) | 84.7 (66.8) | 93.9 (77.4) | 94.2 (70.8) |
| Rmerge | 5.4 (28.6) | 7.0 (15.4) | 6.7 (29.1) | 7.2 (30.2) | 10.2 (26.6) |
| Refinement | |||||
| resolution (highest shell, Å) | 72.55–1.90 (1.95–1.90) | 100.00–2.60 (2.67–2.60) | 72.55–1.87 (1.92–1.87) | 72.55–1.77 (1.83–1.77) | 100.00–2.70 (2.77–2.70) |
| R | 17.6 (30.6) | 21.5 (28.3) | 14.7 (23.2) | 15.2 (24.7) | 20.5 (25.5) |
| Rfree | 25.1 (45.4) | 24.2 (34.4) | 22.1 (39.5) | 21.7 (35.0) | 23.0 (33.3) |
| r.m.s.d. bonds (Å)/angles (°) | 0.025/1.87 | 0.028/2.27 | 0.022/2.52 | 0.018/2.38 | 0.014/2.39 |
| B-factor deviation bonds/angles (Å2) | |||||
| main chain | 2.6/3.5 | 0.8/1.6 | 2.1/2.7 | 4.9/4.8 | 0.5/0.8 |
| side chains | 5.6/6.1 | 3.0/5.0 | 5.3/6.1 | 3.7/4.3 | 1.1/1.8 |
| residues in Ramachandran core (%) | 92.0 | 91.6 | 91.6 | 92.6 | 90.3 |
| protein atoms | 18 516 | 18 260 | 18 626 | 18 688 | 9148 |
| water atoms | 2478 | – | 2236 | 2971 | – |
| ligand atoms | 100 | 464 | 499 | 717 | 305 |
| average B-factor (Å2) | 21 | 13 | 18 | 12 | 13 |
| PDB accession code | 1fzw | 1g2v | 1g0r | 1g1l | 1g3l |
Symbols and abbreviations are the same as in Table I.
aThese data sets were measured inhouse on an R-axis VI++ rotating anode.