Table 1. Data-collection and structure-refinement statistics.
Values in parentheses are for the highest resolution shell.
| BLG mutant | I56F/L39A/M107F (FAF) | I56F/L39A/M107W (FAW) | ||||
|---|---|---|---|---|---|---|
| Structure | FAF | FAF–DSM | FAW | FAW–DSM#1 | FAW–DSM#2 | FAW–DSM#3 |
| Data processing | ||||||
| Beamline | 21-ID-F, APS | EMBL P13, PETRA III | 14.2, BESSY II | 14.2, BESSY II | 14.1, BESSY II | 14.1, BESSY II |
| Wavelength (Å) | 0.97872 | 0.97625 | 0.91840 | 0.91840 | 0.91840 | 0.91840 |
| Space group | P21 | I212121 | P3221 | I212121 | I212121 | P321 |
| a, b, c (Å) | 45.91, 64.30, 55.50 | 55.82, 73.34, 179.70 | 53.08, 53.08, 111.47 | 55.67, 70.15, 179.02 | 55.81, 70.52, 178.80 | 66.30, 66.30, 60.63 |
| α, β, γ (°) | 90, 112.89, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution limit (Å) | 50.00–1.80 (1.83–1.80) | 46.38–1.70 (1.80–1.70) | 45.97–1.80 (1.91–1.80) | 45.45–1.80 (1.91–1.80) | 45.52–1.69 (1.79–1.69) | 41.69–1.55 (1.64–1.55) |
| Total No. of reflections | 101450 | 529706 | 139531 | 181280 | 517429 | 445871 |
| No. of unique reflections | 27108 (1363) | 41144 (6512) | 17450 (2615) | 32842 (5196) | 39985 (6354) | 22796 (3482) |
| Multiplicity | 3.70 (3.70) | 12.90 (12.70) | 4.31 (4.02) | 5.52 (5.60) | 12.94 (12.6) | 10.30 (9.11) |
| 〈I/σ(I)〉 | 35.10 (2.00) | 17.97 (1.88) | 13.73 (1.30) | 14.42 (1.63) | 19.43 (1.63) | 23.24 (1.98) |
| R meas (%) | 8.0 (45.4) | 6.9 (135.1) | 5.7 (97.2) | 7.4 (119.1) | 7.2 (168.0) | 5.1 (102.2) |
| Completeness (%) | 99.0 (98.5) | 99.8 (98.6) | 99.8 (99.1) | 99.2 (98.7) | 99.6 (99.3) | 99.9 (99.4) |
| CC1/2 (%) | 99.2 (88.4) | 100.0 (90.3) | 99.9 (59.0) | 99.9 (85.1) | 100.0 (85.7) | 100.0 (87.0) |
| Structure refinement | ||||||
| Reflections (total/test set) | 26016/1074 | 40027/1042 | 16448/1000 | 31839/1000 | 38980/1000 | 21796/1000 |
| R/R free (%) | 19.9/23.3 | 20.4/23.3 | 18.3/22.6 | 18.4/22.1 | 18.9/23.6 | 19.9/23.4 |
| R.m.s.d., bond lengths (Å) | 0.011 | 0.010 | 0.011 | 0.011 | 0.012 | 0.011 |
| R.m.s.d., angles (°) | 1.66 | 1.60 | 1.62 | 1.68 | 1.68 | 1.66 |
| Ramachandran plot statistics (%) | ||||||
| Allowed | 96 | 98 | 97 | 98 | 98 | 98 |
| Favored | 4 | 2 | 3 | 2 | 2 | 2 |
| Outliers | 0 | 0 | 0 | 0 | 0 | 0 |
| PDB code | 7q18 | 7q2n | 7q17 | 7q2o | 7q2p | 7q19 |
| Raw diffraction data | https://doi.org/10.18150/3BXUVE | https://doi.org/10.18150/RTXPKH | https://doi.org/10.18150/V2BG7N | https://doi.org/10.18150/C8ZOOT | https://doi.org/10.18150/2ABUX2 | https://doi.org/10.18150/SSQN7W |