Skip to main content

Table 1 Data collection, phasing, and refinement

From: Atomic structures and functional implications of the archaeal RecQ-like helicase Hjm

Data Collection Summary

 

Form 1 Native Apo

ATPγS soaked form

Derivative Ta6Br14

SeMet

K2PtCl4

Form 2 Apo

AMPPCP soaked form

Wavelength (Ã…)

1.0000

1.0000

1.2553

0.9792

1.0000

1.0000

1.0000

Resolution (Ã…)

50.0-2.40

50.0-2.40

50.0-3.00

50.0-2.50

50.0-2.60

50.0-2.00

50.0-2.7

   (Highest shell)

(2.49-2.40)

(2.49-2.40)

(3.11-3.00)

(2.59-2.50)

(2.69-2.60)

(2.07-2.00)

(2.80-2.70)

Measured reflections

123829

67944

58990

101649

65378

195368

84923 (8506)

Unique reflections

31237 (3096)

29610 (3006)

16100 (1600)

27042 (2770)

24345 (2421)

51591 (4787)

22378 (2240)

Completeness

99.8 (99.7)

96.2 (98.3)

99.9 (99.9)

97.1 (100.0)

97.9 (98.2)

97.6 (91.1)

98.8 (100.0)

I/σ(I)

15.1 (7.7)

14.9 (5.3)

21.9 (6.4)

12.8 (5.8)

14.1 (5.3)

9.4 (1.8)

16.5 (6.9)

Redundancy

3.9 (3.9)

2.3 (2.2)

3.7 (3.7)

3.8 (3.8)

2.7 (2.6)

3.8 (3.2)

3.8 (3.8)

R merge

7.1 (39.1)

7.0 (44.5)

5.3 (14.1)

7.8 (43.6)

7.4 (45.4)

7.0 (45.0)

12.0 (40.2)

MIRAS Phasing Statistics

R iso(F) (%)

  

11.1

18.6

20.6

  

Number of Sites

  

8

1

5

  

Resolution (Ã…)

  

50.0-3.9

50.0-3.9

50.0-3.9

  

Phasing Power (Centric/Acentric)

  

0.814/0.723

1.799/1.894

1.036/0.859

  

Figure of merit (Centric/Acen.)

0.74/0.64

      

Refinement

       

Resolution (Ã…)

50.0-2.40

5.0-2.40

   

50.0-2.00

50.0-2.70

R work/R free a (%)

22.8/29.9

21.6/29.0

   

22.3/25.8

23.1/29.4

Number of atoms

       

   Protein

5202

5374

   

5603

5599

   Water

90

113

   

300

65

   Ligand

25

47

   

-

31

Average B-factor (Ã…2)

       

   Protein

41.3

38.9

   

27.8

37.5

   Water

42.2

40.2

   

32.1

32.1

   Ligand

60.9

58

   

-

71.2

r.m.s.d.

       

Bond Lengths(Ã…)

0.008

0.009

   

0.007

0.008

Angles(°)

1.3

1.3

   

1.3

1.3

PDB code

2ZJ2

2ZJ5

   

2ZJ8

2ZJA

  1. a R free was calculated using 5% of the total reflections, which were chosen randomly and omitted from the refinement.