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[Preprint]. 2020 Apr 26:2020.04.17.047498. [Version 2] doi: 10.1101/2020.04.17.047498
PDB Accession Code 6w4h 6w61
Crystallization Conditions
Screen conditions 0.2M Calcium acetate, 0.1M HEPES pH 7.5, 18% (w/v) PEG8000 0.1 M sodium citrate, pH 5.6, 10% (w/v) PEG4000, 10%(w/v) isopropanol
Protein concentration (mg/ml) 5.3 16.7

Data Collection
Space group P3121 P3121
Unit cell parameters (Å; °) a = 167.7, b = 167.7, c = 51.9; α = β=90.0, γ = 120.0 a = 168.6, b = 168.6, c = 52.0; α = β =90.0, γ = 120.0
Resolution range (Å) 30.00 – 1.80 (1.83 - 1.80) 50.00 - 2.00 (2.04 - 2.00)
No. of reflections 77,886 (3,873) 57,010 (2,781)
Rmerge (%) 6.0 (76.5) 13.9 (233.0)
Completeness (%) 100.0 (100.0) 100.0 (100.0)
<I/σ(I)> 29.3 (2.6) 37.1 (1.0)
Multiplicity 7.3 (6.8) 6.2 (6.3)
Wilson B factor 25.4 49.0

Structure Determination
MR initial model (PDB ID) 3r24 6w4h
Refinement
Resolution range (Å) 29.76 - 1.80 (1.85 - 1.80) 42.33 - 2.00 (2.04 - 2.00)
Completeness (%) 100.0 (100.0) 99.7 (96.3)
No. of reflections 73,752 (5,432) 56,859 (2,522)
Rwork/Rfree, (%) 14.9/16.3 (22.9/23.9) 17.2/19.3 (30.4/32.3)
Protein chains/atoms 2/3,201 2/3,390
Ligand/Solvent atoms 65/442 6/141
Mean temperature factor (Å2) 31.5 41.0

Coordinate Deviations
R.m.s.d. bonds (Å) 0.004 0.002
R.m.s.d. angles (°) 1.183 0.473

Ramachandran plot
Favored (%) 97.0 96.8
Allowed (%) 3.0 3.2
Outside allowed (%) 0.0 0.0