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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 (Å) 1.0000 1.2544 0.9795 1.0717
Resolution (Å) 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 (Å)   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 (Å) 50.0-2.65    
Rwork/Rfreea (%) 25.7/29.7    
Number of atoms      
Protein   2623    
Water   33    
Average B-factor 2)     
Protein   65.7    
Water   56.9    
r.m.s.d.      
Bond Lengths (Å) 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.