Table 1 Map and model refinement statistics

From: Integrative structural analysis of Pseudomonas phage DEV reveals a genome ejection motor

 

Data Collection Statistics

Specimen

Pseudomonas Phage DEV Virion

DEV gp72:gp73 Ejection Proteins

Facility/Microscope

NCEF / Titan Krios

SLAC-Stanford / Titan Krios

Detector

Gatan K3

Falcon 4

Imaging Software

SerialEM

EPU

Magnification

81,000 x

150,000 x

Voltage (kV)

300

300

Exposure (e-2)

50

50

Exposure Time (sec)

3.2

12.9

Defocus range/step (µm)

-0.8 to -1.6 (0.2 increments)

-0.8 to -2.2 (0.2 increments)

Pixel size (Å)

1.12 (0.56)

0.56 (1.12)

Total movies (frames/movie)

17,245 (40)

4897 (40)

Total dose (e-/Å2)

50

50

 

Refinement Statistics

Entry

Major Capsid protein

Portal Protein/

HT-adapter/

tail tube complex

gp72

pre-ejection

conformation

gp53

Long Tail Fiber

N-term Barrel

gp72:gp73

post-ejection conformation

PDB / EMDB entry

9BGN/

EMD-44518

9BGM/

EMD-44517

9BGO/

EMD-44519

9COD/

EMD-45776

8VXQ/

EMD-43629

Initial particles number

109,000

310,000

Final particles number

19,000

16,000

16,000

8,000

61,000

Map Resolution (Å) at FSC 0.143

3.3

3.1

4.0

4.7

3.15

Map Symmetry

C5

C12

C12

C15

C9

Initial Model

de novo

de novo

de novo

Alphafold

de novo

Chains / Residues

9 / 3,591

36 / 13,212

12 / 4,740

15 / 4,740

18 / 4,140

Model-to-Map Correlation Coefficient (CC)a

0.89

0.89

0.70

0.70

0.78

MolProbity / Clash

1.7 / 5.1

2.0 / 10.9

2.0 / 13.2

2.0 / 13.2

1.6 / 3.2

R.M.S. deviations

Bond Length (Å) / Angles (°)

0.002 (1) /

0.6 (15)

0.007 (0) /

0.7 (46)

0.002(0) /

0.6(0)

0.002(0) /

0.6(0)

0.004(3) /

0.7(23)

Rotamer outliers (%)

0.1

0.9

0.0

0.0

0.4

Ramachandran (%) Fav / Allow / Outlier

91.5 / 8.4 / 0.1

92.2 / 7.6 / 0.2

94.6 / 5.4 / 0.0

94.6 / 5.4 / 0.0

93.2 / 6.7 / 0.1

  1. aThe model-to-map correlation coefficient CC is calculated in the map region around the model.