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Table 4 Data collection, phasing, and refinement statistics for the C. parvum CDPK and MAP-1 structures.

From: The Cryptosporidium parvum Kinome

Structure   Cp CDPK1 Cp CDPK1-PP1 Cp CDPK2
PDB Code   3DFA 2WEI 2QG5
Space Group   P43212 P43212 C2
Cell Dimensions     
  a (Å) 69.45 68.9 138.18
  b (Å) 69.45 68.9 86.48
  c (Å) 137.41 130.46 87.96
  Α (°) 90 90 90
  β (°) 90 90 96.37
  γ (°) 90 90 90
Wavelength   0.91996 0.99989 1
Resolution (Å)   50 - 2.45 (2.54) 33 - 1.65 (1.74) 50 - 2.3 (2.36)
Unique reflections    38607 38421
Rmerge   .072 (.471) .11 (.70) .11 (.45)
I/σI   11.2 (4.53) 10.2 (2.3) 12.4 (1.5)
Completeness (%)   96.9 (83.5) 99.9 (100) 88.4 (60.7)
Redundancy   13.2 (11.1) 8.3 (7) 3.4 (2.0)
Refinement     
Resolution   50 - 2.45
(2.52)
33 - 1.65 (1.693) 40 - 2.3 (2.36)
Number of Reflections   12590 36676 38421
Test Set   611 1837 2104
Rwork/Rfree   .234/.263 .197/.229 .224/.286
Number of Atoms   2183 2486 7227
Mean Bfactor   59.4 22.1 38.03
Ramachandran Favored   96.1 97.5 95.8
Ramachandran Disallowed   0 0 0
RMS deviations     
  Bond length (Å) 0.007 0.014 0.013
  Bond angle (°) 1.014 1.41 1.351
Structure   Cp CDPK2-Ind-E804 Cp CDPK4 Cp MAP-1
PDB Code   3F3Z 3HKO 3OZ6
Space Group   C2 P212121 P212121
Cell Dimensions     
  a (Å) 63.32 54.48 74.30
  b (Å) 82.86 63.04 96.75
  c (Å) 62.15 84.04 119.99
  Α (°) 90 90 90
  β (°) 111.61 90 90
  γ (°) 90 90 90
Wavelength   1.5418 0.978 0.97924
Resolution (Å)   50 - 1.84 (1.91) 50 - 1.80 (1.86) 50 - 2.4 (2.44)
Measured reflections     607387
Unique reflections    27359 62534
Rmerge   0.054 (.606) 0.073 (.555) 0.087 (.921)
I/σI   X (2.5) 20.5 (1.53) 14.8 (1.34)
Completeness (%)   99.2 (95.7) 99.2 (92.4) 99.2 (98.7)
Redundancy   3.7 (3.5) 6.1 (2.50) 3.8 (3.8)
Refinement     
Resolution   50 - 1.84 (1.89) 50 - 1.8 (1.84) 45 - 2.4 (2.44)
Number of Reflections   25653 27292 33427
Test Set   1303 1376 1697
Rwork/Rfree   .189/.230 .204/.246 .232/.259
Number of Atoms   2462 2789 5390
Mean Bfactor   27.47 26.95 51.1
Ramachandran Favored   98.2 97.2 96.7
Ramachandran Disallowed   0 0 0
RMS deviations     
  Bond length (Å) 0.01 0.008 0.01
  Bond angle (°) 1.501 1.204 1.100