Table 1 Data collection and refinement statistics for Lnt.
Lnt Eco -Se* | Lnt Eco | Lnt Eco C387A | Lnt Pae | |
|---|---|---|---|---|
PDB code | — | 5N6H | 5N6L | 5N6M |
Data collection | ||||
Space group | P212121 | P212121 | P212121 | C2 |
Cell dimensions | ||||
a, b, c (Å) | 54.56, 142.44, 201.39 | 54.2, 142.3, 199.92 | 55.22, 142.95, 197.71 | 152.73, 39.23, 102.25 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 116.26, 90 |
Beamline | X10SA-PXII | X10SA-PXII | X10SA-PXII | X06SA-PXI |
Wavelength (Å) | 0.9792 | 1.0 | 1.0 | 1.0 |
No. of crystals | 3 | 3 | 3 | 2 |
Total data (°) | 450 | 540 | 160 | 300 |
Resolution (Å) | 50–3.97 (4.08–3.97) | 50–2.90 (3.00–2.90) | 50–2.90 (2.98–2.90) | 50–3.10 (3.20–3.10) |
Rmeas | 0.29 (2.93) | 0.34 (3.00) | 0.24 (1.57) | 0.28 (1.53) |
I /σI | 8.97 (0.83) | 9.52 (1.00) | 7.72 (1.32) | 6.50 (1.43) |
Completeness (%) | 96.0 (66.2) | 100 (100) | 97.9 (86.3) | 98.9 (99.2) |
Multiplicity | 16.28 (10.91) | 19.67 (20.40) | 5.42 (3.55) | 5.40 (5.51) |
CC1/2 | 0.99 (0.26) | 0.99 (0.27) | 0.99 (0.42) | 0.98 (0.41) |
CCanom | 0.3 | — | — | — |
Mosaicity (°) | 0.21 | 0.24 | 0.31 | 0.25 |
Phasing | Se-SAD | MR | MR | MR |
Resolution range (Å) | 50–4.5 | |||
Heavy atoms sites | 20 Se | |||
Correlation coefficient (all/weak) | 49.40/18.80 | |||
Refinement | ||||
Resolution (Å) | 50–2.90 | 50–2.90 | 50–3.10 | |
No. of reflections Rwork/Rfree | 35266/1763 | 34807/1699 | 10157/1005 | |
Rwork/Rfree | 0.22/0.25 | 0.23/0.26 | 0.22/0.27 | |
r.m.s. deviations | ||||
Bond lengths (Å) | 0.003 | 0.004 | 0.004 | |
Bond angles (°) | 0.728 | 0.798 | 0.855 | |
B-factor | ||||
Proteins chain A | 72.38 | 78.49 | 64.97 | |
Proteins chain B | 87.98 | 90.88 | — | |
Ligands | ||||
9.9 MAG | 83.39 | 98.79 | 68.46 | |
Glycerol | 93.07 | 99.31 | 73.66 | |
Citrate | — | — | 86.67 | |
H2O | 72.61 | 74.83 | 48.17 | |
Ramachandran Plot | ||||
Favoured (%) | 96.48 | 97.68 | 95.26 | |
Allowed (%) | 3.52 | 2.32 | 4.74 | |
Outliers (%) | 0.00 | 0.00 | 0.00 | |
MolProbity Clash score | 6.26 | 9.94 | 8.52 | |
