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Table 1 X-ray diffraction data collection and refinement

From: Architectures of archaeal GINS complexes, essential DNA replication initiation factors

Data Collection Summary

     
   

Derivative

  
  

Native

Ta6Br14

SeMet

K2PtCl4

Wavelength

(Ã…)

1.0000

1.2544

0.9795

1.0717

Resolution

(Ã…)

50.0-2.65

50.0-3.16

50.0-2.80

50.0-3.19

(Highest shell)

 

(2.74-2.65)

(3.27-3.16)

(2.90-2.80)

(3.30-3.19)

Measured reflections

 

227882

127012

181671

112023

Unique reflections

 

16278 (1598)

9676 (901)

13780(1256)

9034 (921)

Completeness

(%)

99.4 (100.0)

97.6 (95.1)

99.1 (92.8)

94.5 (99.9)

I/σ(I)

 

17.6 (9.9)

23.8 (11.4)

14.5 (7.1)

14.2 (7.4)

Redundancy

 

14.0 (14.0)

13.1 (13.5)

13.2 (9.7)

12.4 (9.3)

R merge

(%)

4.3 (38.8)

5.6 (23.0)

7.5 (33.9)

6.7 (38.6)

MIRAS Phasing Statistics

     

Riso(F) (%)

  

12.4

21.1

17.1

Number of Sites

  

2

6

1

Resolution

(Ã…)

 

50.0-4.0

50.0-4.0

50.0-4.0

Phasing Power (Centric/Acentric)

  

0.56/0.57

0.64/0.54

0.63/0.62

Figure of merit (Centric/Acen.)

 

0.32/0.36

   

Refinement

     

Resolution

(Ã…)

50.0-2.65

   

Rwork/Rfreea

(%)

25.7/29.7

   

Number of atoms

     

Protein

 

2623

   

Water

 

33

   

Average B-factor

(Ã…2)

    

Protein

 

65.7

   

Water

 

56.9

   

r.m.s.d.

     

Bond Lengths

(Ã…)

0.01

   

Angles

(°)

1.364

   

PDB code

 

3ANW

   
  1. aRmerge = (Σ|I I < I I > |)/Σ I |I I |, where < I I > is the mean I I over symmetry-equivalent reflections.
  2. bRwork =Σ|FO - FC |/Σ|FO| for all data excluding data used to calculate Rfree.
  3. cRfree was calculated using 5% of the total reflections, which were chosen randomly and omitted from the refinement.