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. 2017 Oct 26;7:14089. doi: 10.1038/s41598-017-14372-2

Table 3.

Refinement statistics.

Data set TlpC native Co-crystal with 10 mM lactate
Resolution range (Å) 30.6–2.2 30.0–2.5
No. reflections 59,028 40,012
Rwork/Rfree a 0.182/0.218 0.192/0.251
No. atoms
  Protein 6310 6212
  Water 452 66
  Lactate 18 18
B-factors
  Average B (protein atoms) (Å2) 46 42
  Average B (water molecules) (Å2) 52 37
  Average B (lactate) (Å2) 41 41
R.m.s. deviations from ideality
  Bond lengths (Å) 0.017 0.008
  Bond angles (°) 1.4 1.1

aThe Rfree was calculated on 5% of the data omitted at random.