Table 1:

Crystallographic Data Collection and Refinement Statistics

PDB code	6BLM	6OGM
Data collection	F4-OT	uF4-OT
Space group	P212121	P1211
Cell dimensions
a, b, c (Å)	47.8, 67.2, 94.8	39.6, 81.6, 96.2
α, β, γ (°)	90.0, 90.0, 90.0	90.0, 95.6, 90.0
Resolution (Å)	42.69–1.49 (1.54–1.49)*	47.88–1.86 (1.93–1.86)*
Wavelength (Å)	1.0332	1.0332
Rsym	0.08751 (0.697)*	0.117 (0.511)*
Rpim	0.03551 (0.2877)*	0.070 (0.313)*
CC1/2ϒ	0.998 (0.836)ϒ	0.991 (0.726)ϒ
I/ σ	24.2 (2.6)*	9.5 (2.0)*
Completeness (%)	99.6 (98.7)*	97.4 (93.3)*
Redundancy	7.0 (6.8)*	3.6 (3.5)*
Refinement
Resolution (Å)	42.69–1.49 (1.543–1.49)*	47.88–1.86(1.93–1.86)*
No. reflections	356506(33851)*	178400(17024)*
Rwork	0.1968 (0.2581)*	0.1831 (0.2440)*
Rfree±	0.2153 (0.2906)*	0.2237 (0.3058)*
No. atoms	3075	5688
Protein	2751	5265
Water	324	423
B-factors (Å2)
Protein	25.91	24.99
Water	36.96	32.57
R.m.s. deviations
Bond lengths (Å)	0.007	0.005
Bond angles (°)	1.10	0.82
Ramachandran plot
Favored	99.7	99.7
Allowed	0.3	0.3
Outliers£	0.00	0.00
Molprobity score^	1.27 / 93rd percentile¥	1.37 / 92nd percentile¥

^*Values for the corresponding parameters in the outermost shell in parenthesis.

^ϒCC_1/2 is the Pearson correlation coefficient for a random half of the data, the two numbers represent the lowest and highest resolution shell respectively.

^±R_free is the R_model calculated for 5% of the reflections randomly selected and omitted from refinement.

^£There is only one Ramachandran outlier which correspond to a proline residues (Pro 158) on one chain with strong electron density.

^{^}MolProbity score is calculated by combining clashscore with retainer and Ramachandran percentage and scaled based on X- ray resolution.

^¥The percentage is calculated with 100th percentile as the best and 0th percentile as the worst among structures of comparable resolution.