Table 4

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

Structure

CpCDPK1

CpCDPK1-PP1

CpCDPK2


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

CpCDPK2-Ind-E804

CpCDPK4

CpMAP-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


Artz et al. BMC Genomics 2011 12:478   doi:10.1186/1471-2164-12-478

Open Data