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. 2017 Jul 3;114(29):E5950–E5958. doi: 10.1073/pnas.1705062114

Table S1.

Crystallography and cryoEM data

Sample Prosthecobacter vanneervenii PvBtubC EMTS derivative Prosthecobacter vanneervenii PvBtubC native Prosthecobacter dejongeii PdBtubABC
NCBI database ID CAP16140.1 CAP16140.1 AA012155.1, AA012159.2, this work
Constructs 1–256-KLHHHHHH 1–256-KLHHHHHH A: 1–473, no tag, B: 1–426 no tag, C: MGSSHHHHHH-SSGLLPRGSH-1–257
Method Crystallography SAD Crystallography CryoEM,
0.5 mM EMTS helical reconstruction
Data collection
 Beamline/microscope ESRF ID30B ESRF ID29 FEI Polara G2, Falcon III
 Wavelength/energy 1.006 Å 0.977170 300 kV
Crystal/helical
 Space/point group H32 H32
 Cell, Å 120.0, 120.0, 239.1 119.7, 119.7, 239.4
 Twist/rise −5.54°, 79.31 Å
Data
 Resolution, Å 2.8 2.5 3.6
 Completeness*, % 100 (100) 99.4 (100)
 Multiplicity* 11.8 (11.3) 4.9 (5.2)
 (I)/σ(I)* 17.8 (2.4) 10.8 (2.7)
Rmerge* 0.102 (1.036) 0.108 (0.674)
Rpim* 0.044 (0.467) 0.054 (0.330)
 CC1/2 0.999 (0.726) 0.996 (0.690)
 Anomalous correlation 0.24 (0.0)
 Mercury sites 4
 Images, pixel size 6105, 1.34 Å
 Defocus range, dose −1.5 to −3 µm, 40 e/Å2
 Helical segments 257,661
Refinement
R/Rfree 0.186/0.237 0.32
Models 2 chains/ASU: 1 BtubAB heterodimer: A residues 3–435, B 2–37; 46–273;281–426
Residues 2–255, 0.014
92 waters
Bond length rmsd, Å 0.015
Bond angle rmsd, ° 1.716 1.556
Favored, % 100 99.5
Disallowed, % 0 0
MOLPROBITY score 95th percentile 100th percentile
PDB/EMDB IDs 5O01 5O09, EMD-3726
*

Values in parentheses refer to the highest recorded resolution shell.

Five percent of reflections were randomly selected before refinement.

Percentage of residues in the Ramachandran plot (PROCHECK “most favored” and “additionally allowed” added together).