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Table 1 Data collection and refinement statistics

From: Structure and function of a short LOV protein from the marine phototrophic bacterium Dinoroseobacter shibae

  DsLOV “dark” DsLOV “photoexcited”
Wavelength (Å) 0.93340 (Beamline: ESRF, ID14-1) 0.95372 (Beamline: ESRF, ID23-1)
Detector type ADSC Quantum Q210 ADSC Quantum Q315r
Resolution range (Å) 45.4 - 1.5 (1.53 - 1.5)a 26.1 - 2.0 (2.07 - 2.0)a
Space group C 1 2 1 C 1 2 1
Unit cell a = 89.98 (Å) a = 90.78 (Å)
b = 30.60 (Å) b = 30.94 (Å)
c = 49.33 (Å) c = 49.54(Å)
β = 113.03° β = 113.09°
Total reflections 65088 30165
Unique reflections 19912 8206
Multiplicity 3.3 (2.5) 3.7 (4.0)
Completeness (%) 98.98 (91.59) 93.48 (98.15)
Mean I/σ (I) 19.7 (4.3) 16.3 (10.4)
Wilson B-factor (Å2) 14.08 10.62
R-sym 0.037 (0.203) 0.061 (0.085)
R-work 0.1298 (0.1115) 0.1633 (0.1595)
R-free 0.1789 (0.2031) 0.1824 (0.1586)
Coordinate error (maximum-likelihood based) (Å) 0.13 0.16
Number of atoms 1125 1015
Macromolecules 981 904
Ligands 32 27
Water molecules 112 84
Protein residues 120 115
RMS (bonds) (Å) 0.014 0.004
RMS (angles) (°) 1.56 0.77
Ramachandran favored (%) 99 99
Ramachandran outliers (%) 0 0
Clash score 2.99 4.92
Average B-factor (Å2) 19.9 14.7
PDB entry 4KUK 4KUO
  1. aStatistics for the highest-resolution shell are shown in parentheses.