EcppnP EcppnP-SeMet PappnP StppnP VcppnP
Data collection
Wavelength 0.97915 0.97915 0.97915
Space group P62 P62 P3221 P31 P41212
Cell dimensions
a, b, c (Å) 59.89, 59.89, 52.15 59.66, 59.66, 52.65 61.60, 61.60, 96.48 34.57, 34.57, 124.89 55.24, 55.24, 111.85
α, β, γ (°) 90, 90, 120 90, 90, 120 90, 90, 120 90, 90, 120 90, 90, 90
Resolution (Å) 50.0-1.38 (1.43-1.38)* 50-1.38 (1.43-1.38) 30.0-1.50 (1.55-1.50) 50.0-1.20(1.24-1.20) 50.0-1.38 (1.43-1.38)
Rmerge 0.084 (0.196) 0.077 (0.505) 0.103 (0.740) 0.070 (0.198) 0.112 (0.901)
I / σI 37.3 (18.7) 36.41 (7.00) 30.88 (6.75) 19.558 (7.824) 26.33 (1.67)
Completeness (%) 99.9 (99.5) 100.0 (100.0) 97.6 (96.3) 99.7 (98.8) 99.6 (97.1)
Redundancy 19.9 (19.1) 19.8 (19.4) 20.0 (19.1) 4.3 (4.2) 12.5 (6.4)
Refinement
Resolution (Å) 20.0-1.38 20.0-1.38 20.0-1.50 20.0-1.20 20.0-1.38
No. reflections 21,825 21,787 33, 684 51507 35447
Rwork / Rfree 0.1522/0.1780 0.1507/0.1688 0.1794/0.2127 0.1738/0.1893 0.2054/0.2248
No. atoms 891 904 1,801 1,649 1,601
Protein 760 753 1,494 1,449 1,491
Ligand/Water 131 151 307 200 110
B-factors 15.61 16.32 17.32 17.69 17.35
R.m.s. deviations
Bond lengths (Å) 0.005 0.005 0.008 0.004 0.006
Bond angles (°) 0.867 0.874 1.019 0.841 0.952
Ramachandran plot
Favored/allowed (%) 96.77/3.23 96.77/3.23 98.91/1.09 97.85/2.15 98.39/1.61