Table 1. Crystallographic data collection and structure refinement statistics.^a.

Crystallographic data collection statistics
Diffraction source	MX‐2 beamline, LNLS
Wavelength (Å)	1.4587
Temperature (K)	100
Detector	PILATUS2M
Crystal‐detector distance (mm)	205.12
Rotation range per image (°)	0.1
Data range	1–1800
Space group	P3221
a, b, c (Å)	121.36 121.36 59.62
α, β, γ (°)	90.0 90.0 120.0
Mosaicity (°)	0.221
Resolution range (Å)	39.42–2.152 (2.229–2.152)
Total number of reflections	209550 (6228)
Number of unique reflections	25688 (1122)
Completeness (%)	92.32 (38.23)
Redundancy	8.53 (2.96)
$\langle I/\sigma (I)\rangle$b	19.87 (0.85)
Rmeas (%) c	8.7 (143.1)
CC1/2 d	99.9 (43.3)
Resolution range (Å)	39.42–2.152 (2.229–2.152)
Completeness (%)	92.32 (38.23)
Number of reflections, test set	25581, 1283 (1044, 55)
Refinement statistics
Rwork Final e	0.2131 (0.3860)
Rfree Final f	0.2439 (0.4540)
Number of nonhydrogen atoms	2235
Protein residues	277
Water	60
RMSDg
Bonds (Å)	0.008
Angles (°)	0.95
Average B‐factors (Å2)	51.13
Ramachandran plot
Most favored (%)	97.45
Allowed (%)	2.55
Outliers (%)	0.00

^a Values for the highest-resolution shell are shown in parentheses.

^b Signal-to-noise ratio.

^{c $R_{meas}={\Sigma }_{hkl}{\left(n/\left(n-1\right)\right)}^{1/2}{\Sigma }_i\left|I_{hkl,i}-⟨I_{hkl}⟩\right|{\Sigma }_{hkl}{\Sigma }_i{I}_{hkl,i}$}, for n symmetry related refection intensities I_hkl,_i.

^d CC_1/2 Pearson’s correlation coefficient calculated with data set randomly split in half.

^e R_work ^{$=\sum \left|F_o\vee -F_c\right|\vee \sum F_o\vee$}, where F_o Vand F_c Vare the observed and calculated structure factor amplitudes.

^f R_free was calculated as R_work with 10% of the data omitted from structure refinement.

^g RMSD., root mean square deviations from ideal geometry.