Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Crystal type 3 | Crystal type 3 | Crystal type 2 | Crystal type 1 | L-Arabinose complex | α-L-AraCS complex | α-L-AraAZI complex | AraDNJ complex | |
|---|---|---|---|---|---|---|---|---|
| PDB code | 6zpv | 6zps | 6zpw | 6zpx | 6zpy | 6zpz | 6zq0 | 6zq1 |
| Diffraction source | I23, DLS | I23, DLS | I03, DLS | I03, DLS | I04-1, DLS | I04-1, DLS | I04-1, DLS | I04, DLS |
| Wavelength (Å) | 1.3776 | 2.7552 | 0.9763 | 0.9763 | 0.9119 | 0.9119 | 0.9119 | 0.9795 |
| Temperature (K) | 80 | 80 | 100 | 100 | 100 | 100 | 100 | 100 |
| Detector | PILATUS 2M | PILATUS 2M | EIGER2 XE 16M | EIGER2 XE 16M | PILATUS 6M-F | PILATUS 6M-F | PILATUS 6M-F | EIGER2 XE 16M |
| Crystal-to-detector distance (mm) | 10† | 10† | 175 | 175 | 214 | 214 | 214 | 278 |
| Rotation range per image (°) | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 |
| Total rotation range (°) | 360 | 360 | 220 | 220 | 220 | 220 | 220 | 360 |
| Exposure time per image (s) | 0.1 | 0.1 | 0.01 | 0.01 | 0.04 | 0.04 | 0.04 | 0.01 |
| Space group | P43212 | P43212 | C2221 | P212121 | P212121 | P212121 | P212121 | P212121 |
| a, b, c (Å) | 83.95, 83.95, 256.59 | 84.17, 84.17, 257.35 | 114.95, 125.84, 161.23 | 59.98, 65.80, 193.12 | 59.71, 65.04, 174.12 | 58.03, 65.61, 191.45 | 59.050, 65.460, 191.820 | 59.69, 66.04, 193.83 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Mosaicity (°) | 0.10 | 0.10 | 0.16 | 0.40 | 0.31 | 0.27 | 0.14 | 0.23 |
| Resolution range (Å) | 85.53–1.20 (1.22–1.20) | 257.35–1.79 (1.83–1.79) | 80.61–1.33 (1.35–1.33) | 82.28–1.30 (1.32–1.30) | 65.04–1.27 (1.29–1.27) | 58.12–1.71 (1.74–1.71) | 61.95–1.54 (1.57–1.54) | 29.87–1.70 (1.73–1.70) |
| Total No. of reflections | 9407615 (350182) | 5201021 (99589) | 2132590 (87779) | 1461368 (55378) | 1394136 (62439) | 602802 (25957) | 849481 (34963) | 2941195 (71749) |
| No. of unique reflections | 285059 (13929) | 74070 (4624) | 265496 (12835) | 188207 (9226) | 176357 (8584) | 79871 (3871) | 110936 (5472) | 85172 (4409) |
| Completeness (%) | 100 (100) | 84.4 (90.5)‡ | 99.9 (98.0) | 100 (99.7) | 98.5 (97.3) | 98.8 (98.5) | 99.7 (99.7) | 99.9 (99.4) |
| Multiplicity | 33 (25.1) | 70.2 (21.5) | 8.0 (6.8) | 7.8 (6.0) | 7.9 (7.3) | 7.5 (6.7) | 7.7 (6.4) | 34.5 (16.3) |
| 〈I/σ(I)〉 | 27.2 (1.8) [1.24 Å]§ | 35.1 (5.7) | 9.6 (1.1) [1.42 Å]§ | 6.9 (1.2) [1.38 Å]§ | 7.4 (0.8) [1.41 Å]§ | 8.7 (1.2) [1.90 Å]§ | 10.6 (0.9) [1.75 Å]§ | 15.9 (2.1) |
| CC1/2 | 1.000 (0.661) | 0.999 (0.859) | 0.999 (0.521) | 0.998 (0.778) | 0.996 (0.764) | 0.997 (0.419) | 0.999 (0.505) | 0.999 (0.915) |
| R r.i.m. | 0.011 (0.430) | 0.012 (0.142) | 0.035 (0.727) | 0.035 (0.422) | 0.040 (0.374) | 0.052 (0.694) | 0.043 (0.731) | 0.028 (0.281) |
| Overall B factor from Wilson plot (Å2) | 12.23 | 16.98 | 11.86 | 13.16 | 11.14 | 21.04 | 18.22 | 13.52 |
†
Distance from the central axis of the cylindrical detector array.
‡
Completeness is low owing to the cylindrical shape of the detector and the long wavelength that was used.
§
Data in the outer shell were cut using a CC1/2 limit of 0.5 or I/σ(I) > 1. The resolution at which I/σ(I) falls below 2.0 is provided in square brackets.