Skip to main content

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.