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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 (Ã…)

69.45

68.9

138.18

 

b (Ã…)

69.45

68.9

86.48

 

c (Ã…)

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 (Ã…)

 

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 (Ã…)

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 (Ã…)

63.32

54.48

74.30

 

b (Ã…)

82.86

63.04

96.75

 

c (Ã…)

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 (Ã…)

 

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 (Ã…)

0.01

0.008

0.01

 

Bond angle (°)

1.501

1.204

1.100