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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 (Å) 1.0000 1.0000 1.2553 0.9792 1.0000 1.0000 1.0000
Resolution (Å) 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 (Å)    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 (Å) 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 (Å2)        
   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(Å) 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.