Table 2. X-ray data.
| Rv2361 | Rv1086 | |||||
|---|---|---|---|---|---|---|
| Data collection | CITPP* | IPP | APO*,† | CITPP | EE-FPP | APO† |
| λ(Å) | 0.9762 | 0.9330 | 0.976 | |||
|
| ||||||
| Resolution | 75 - 1.8 | 75 - 1.95 | 69 - 2.6 | 27 - 1.7 | 60 – 1.7 | 52 - 2.3 |
| Last shell (Å) | 1.85- 1.8 | 2.0 - 1.95 | 2.6 – 2.6 | 1.8 - 1.7 | 1.7 - 1.7 | 2.4 – 2.3 |
|
| ||||||
| Spacegroup | P32 | P32 | P32 | P212121 | P212121 | P212121 |
|
| ||||||
| Cell (Å) | a = 86.9 | a = 87.0 | a = 87.3 | a = 58.5 | a = 58.8 | a = 58.9 |
| c = 184.1 | c = 183.7 | c = 183.9 | b = 73.5 | b = 74.1 | b = 73.7 | |
| c = 102.6 | c = 103.3 | c = 103.2 | ||||
|
| ||||||
| Unique refl's | 134070 | 111969 | 44230 | 46922 | 50127 | 17126 |
|
| ||||||
| Average redundancy | 2.8 | 3.5 | 2.2 | 7.5 | 3.9 | 4.1 |
|
| ||||||
| I/σ | 12.8 (2.0) | 12.1 (1.8) | 8.4 (1.1) | 24.5 (6.6) | 15.7 (2.4) | 13.5 (2.0) |
|
| ||||||
| Complete (%) | 93 (91.7) | 98(95) | 84 (67) | 100 (100) | 99.6(100) | 88 (75) |
|
| ||||||
| Rmerge | 0.074(0.42) | 0.094(0.47) | 0.14(0.48) | 0.055 (0.48) | 0.059(0.52) | 0.096(0.32) |
|
| ||||||
| Refinement | ||||||
|
| ||||||
| R % | 20.4(24.8) | 18.7(22.9) | 21.5(27.8) | 17.6(16.2) | 18.8(24.4) | 22.4(30.0) |
|
| ||||||
| Rfree % | 23.1(29.0) | 21.1(27.6) | 25.6(31.9) | 21.5(23.5) | 22.2(32.3) | 27.5(31.3) |
|
| ||||||
| rmsd bonds (Å) /angles (°) | 0.010 /1.3 | 0.009 /1.2 | 0.003 /0.7 | 0.010 / 1.2 | 0.009 / 1.1 | 0.010 / 1.2 |
|
| ||||||
| Ramach'n Core (%) | 94 | 93 | 85 | 95 | 96 | 94 |
|
| ||||||
| No of protein chains in asymmetric unit | 4 | 4 | 4 | 2 | 2 | 2 |
|
| ||||||
| PDB accession code | 2vg3 | 2vg2 | 2vg4 | 2vg0 | 2vg1 | 2vfw |
*
These data were twinned, for the APO the twin fraction was refined for CITPP the data were detwinned. The twined data have been deposited as well as the de-twinned.
†
The completeness was limited by radiation damage. Thus the resolution limits for these data sets are nominal.