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. 2007 May 8;104(20):8293–8298. doi: 10.1073/pnas.0700402104

Table 1.

Data collection, phasing and refinement statistics

Data set Native
X-ray source Photon Factory-NW12A
Wavelength, Å 1.0000
Resolution, Å 50.0–3.0
Space group P21
Cell parameters, Å a = 84.776 b = 67.957 c = 178.662
Cell parameters, deg. α = 90.00 β = 90.07 γ = 90.00
Unique reflections 40370
Redundancy 6.3
Completeness, % 99.5 (98.6)
I/σ(I) 23.7 (3.5)
Rsym* 0.075 (0.366)
Refinement
Resolution range, Å 50.0–3.0
Rwork/Rfree, % 25.5/32.0
Number of protein atoms 3932
Number of nucleic acid atoms 5292
rmsd bond lengths, Å 0.014
rmsd bond angles, deg. 2.20
Average B-value, Å2 94.20
Ramachandran plot
    Core, % 71.5
    Allowed, % 28.0
    Generously, % 0.5

Values in parentheses are for the highest-resolution shells.

*Rsym = Σ | IavgIi | / ΣIi.

Rwork = Σ | FoFc | / Σ | Fo |.

Rfree is the same as Rwork, but calculated by using a small fraction (7.4%) of randomly selected reflections with twinning rules.