Table 1. Data collection and refinement... | Rockefeller University Press

Table 1.

Data collection and refinement statistics

Attribute	Msps TOG5 (1,141–1,411)
PDB code	5VJC
Data collection
Beamline	GM/CA-CAT 23-IDB
Wavelength	1.03319
Space group	P2₁2₁2₁
Resolution (Å)	29.3–2.00 (2.07–2.00)
Unit cell dimensions: a, b, c (Å)	53.3, 80.0, 146.8
Angles α, β, γ (°)	90.0, 90.0, 90.0
Reflections: measured/unique (n)	85,812 (8,462)/43,212 (4,251)
Multiplicity	2.0 (2.0)
CC1/2	0.992 (0.730)
Completeness (%)	95.6 (86.0)
I/σ	17.7 (2.0)
R_merge	0.028 (0.401)
Refinement
Resolution (Å)	29.3–2.00 (2.07–2.00)
R/R_free (%)^{^a}^{^b}	18.7 (27.2)/22.2 (35.0)
Protein/solvent atoms (n)	4,110/276
rmsd bond angles (°)	0.008
rmsd bond lengths (Å)	0.999
Ramachandran favored/allowed (%)	99.21/0.79
Mean B (Å²)	31.3
Phase error (°)	23.0

Attribute	Msps TOG5 (1,141–1,411)
PDB code	5VJC
Data collection
Beamline	GM/CA-CAT 23-IDB
Wavelength	1.03319
Space group	P2₁2₁2₁
Resolution (Å)	29.3–2.00 (2.07–2.00)
Unit cell dimensions: a, b, c (Å)	53.3, 80.0, 146.8
Angles α, β, γ (°)	90.0, 90.0, 90.0
Reflections: measured/unique (n)	85,812 (8,462)/43,212 (4,251)
Multiplicity	2.0 (2.0)
CC1/2	0.992 (0.730)
Completeness (%)	95.6 (86.0)
I/σ	17.7 (2.0)
R_merge	0.028 (0.401)
Refinement
Resolution (Å)	29.3–2.00 (2.07–2.00)
R/R_free (%)^a^b	18.7 (27.2)/22.2 (35.0)
Protein/solvent atoms (n)	4,110/276
rmsd bond angles (°)	0.008
rmsd bond lengths (Å)	0.999
Ramachandran favored/allowed (%)	99.21/0.79
Mean B (Å²)	31.3
Phase error (°)	23.0

Values in parentheses are for the highest-resolution shells unless otherwise denoted. rmsd, root-mean-square deviation.

$R = \sum (| F_{o b s} | - k | F_{c a l c} |) / \sum | F_{o b s} | .$

R_free was calculated using a 4.5% subset of the data that is removed randomly from the original data and excluded from refinement.

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