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. 2012 Jul 18;287(37):31349–31358. doi: 10.1074/jbc.M112.386706

TABLE 1.

Crystallographic data collection and refinement statistics

Enzyme complex hUXS1-UDP-NAD+
PDB accession code 2B69
Synchrotron beamline SLS, X10SA
Wavelength (Å) 0.9795
Space group P121
Unit cell dimensions a = 46, b = 45, c = 85 Å
α = γ = 90.0°
β = 97°
Resolution rangea (Å) 42–1.20 (1.26–1.20)
No. unique reflectionsa 93023 (8576)
Completenessa (%) 91.3 (58.1)
Mean I/sdI 〈I/σ(I)〉a 25.2 (1.3)
Rmergea (%) 6.5 (53.7)
Redundancya 2.1 (1.3)

Refinement
    No. atoms P/L/Ob 2439/94/353
    Rwork/Rfree (%) 13.4/16.2
    R.m.s. deviation bond lengthc (Å) 0.014
    R.m.s. deviation bond angle (°) 1.506
    Bmean P/L/Ob2) 14/28/32

a Values in parentheses correspond to data in highest resolution shell.

b P/L/O refer to protein, ligand, and solvent atoms.

c R.m.s. deviation is root mean square deviation.