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. 2021 Jan 18;8:628222. doi: 10.3389/fcell.2020.628222

Table 1.

Data collection and refinement statistics.

Data collection CDEFhd1 (PDB ID: 7CLT)
Space group P212121
X-ray sourcea and detector PAL-5C Pilatus 6M
Wavelength (Å) 0.9794
Unit cell: a, b, c (Å) 31.8, 47.6, 87.2
α, β, γ (°) 90.0, 90.0, 90.0
Resolution range (Å)b 50–2.07 (2.11–2.07)
Rmergec 4.6 (59.0)
CC1/2d 0.998 (0.873)
<I/σ(I)> 11.1 (2.5)
Completeness (%) 99.2 (97.1)
Redundancy 4.9 (4.3)
REFINEMENT
Resolution range (Å) 43.6–2.07
No. reflections 7896
Rworke (%)/Rfree (%) 20.9/22.9
NO. ATOMS (RESIDUES)
Protein 827 (102)
Glycerol 6 (1)
Ca2+ 2
Zn2+ 2
Water 23
B-Factors (Å2)
Protein 31.8
Glycerol 22.4
Ca2+ 20.8
Zn2+ 24.0
Water 27.2
MODEL STATISTICS
RMSD bond length (Å) 0.007
RMSD bond angles (°) 0.87
Ramachandran plot (%) favored/allowed/disallowed 98.0/2.0/0.0
a

Beamline 5C at Pohang Acceleratory Laboratory (PAL) in the Republic of Korea.

b

Values in parentheses are for the highest resolution shell.

c

Rmerge = ∑h = i |I(h)i- < I(h) > |/ [∑h /iI(h)i], where I(h) is the intensity of reflection of h, ∑h is the sum over all reflections and -i is the sum over i measurements of reflection h.

d

CC1/2 was calculated from HKL2000.

e

Rwork = Σhkl ||Fo|–|Fc||/(Σhkl|Fo|); 5% of the reflections were excluded for the Rfree calculation.