Table 1.

Crystallographic data and refinement

	PDB 6VWO	PDB 6VWP
Resolution range (Å)	42.3 – 1.78 (1.85–1.78)	48.9 – 3.42 (3.54–3.42)
Space group	P3221	P3121
a,b,c (Å)	118.12, 118.12, 75.45	245.95, 245.95, 221.68
α,β,γ (°)	90,90,120	90,90,120
Unique reflections	55134	103858
Redundancy	16.6 (5.2)	16.7 (15.3)
Completeness (%)	95.0 (58.8 )	99.4 (96.1)
Wilson B-factor	32.0	142.3
R-merge	0.083 (0.896)	0.117 (1.750)
R-pim	0.02 (0.381)	0.029 (0.461)
CC1/2	0.998 (0.732)	99.8 (0.699)
I/sigma I	22.06 (1.25)	17.69 (1.29)
R-work	0.181 (0.346)	0.200 (0.310)
R-free	0.205 (0.329)	0.242 (0.350)
RMSD bonds (Å)	0.006	0.005
RMSD angles (°)	0.87	0.75
Ramachandran favored (%)	98.15	95.73
Ramachandran outliers (%)	0.0	0.36
Clashscore	4.84	7.07
Average B-factor	42.0	146.0
# of atoms
Protein (H included)	5888	50550
Ligands/ions (H included)	108	924
Water	204	0

Note: Values in ( ) for highest resolution bin