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

Table 1.

Data collection and refinement statistics for x-ray crystallographic analysis

Statistics	CD72^a CTLD
Data collection
Wavelength (Å)	0.9800
Space group	P6₁
Unit-cell parameters (Å)	a = 65.5; c = 61.2
Resolution (Å)	50–1.20 (1.22–1.20)^{^a}
No. of observations	510,694
No. of unique reflections	46,533
Completeness (%)	99.8 (100)
Average I/σ(I)	42.8 (4.1)
Redundancy	11.0 (10.6)
R_sym^{^b} (%)	8.7 (79.4)
Refinement
R^{^c} (%)	12.8
R_free^{^d} (%)	14.8
Number of atoms
Protein	1,003
Heterogen	10
Water	170
Average B factor (Å²)	18.0
Root-mean-square deviation from ideal
Bonds (Å)	0.008
Angles (°)	1.21
Ramachandran plot
Favored region (%)	97.4
Allowed region (%)	2.6
Outlier region (%)	0

Statistics	CD72^a CTLD
Data collection
Wavelength (Å)	0.9800
Space group	P6₁
Unit-cell parameters (Å)	a = 65.5; c = 61.2
Resolution (Å)	50–1.20 (1.22–1.20)^{^a}
No. of observations	510,694
No. of unique reflections	46,533
Completeness (%)	99.8 (100)
Average I/σ(I)	42.8 (4.1)
Redundancy	11.0 (10.6)
R_sym^{^b} (%)	8.7 (79.4)
Refinement
R^{^c} (%)	12.8
R_free^{^d} (%)	14.8
Number of atoms
Protein	1,003
Heterogen	10
Water	170
Average B factor (Å²)	18.0
Root-mean-square deviation from ideal
Bonds (Å)	0.008
Angles (°)	1.21
Ramachandran plot
Favored region (%)	97.4
Allowed region (%)	2.6
Outlier region (%)	0

Values in parentheses are for the highest-resolution shell.

$R_{sym} = \sum \sum_{i} | I (h) - I {(h)}_{i} | ∕ \sum \sum_{i} I (h),$ where I(h) is the mean intensity after rejection.

$R = \sum | F_{o} - F_{c} | ∕ \sum | F_{o} |,$ where F_o is the observed structure factor amplitude and F_c is the calculated structure factor amplitude.

R_free is the same as R but was calculated using a random set containing 5% of the data that were excluded during refinement.

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