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) (%) | Â | Â | 11.1 | 18.6 | 20.6 | Â | Â |
Number of Sites | Â | Â | 8 | 1 | 5 | Â | Â |
Resolution (Ã…) | Â | Â | 50.0-3.9 | 50.0-3.9 | 50.0-3.9 | Â | Â |
Phasing Power (Centric/Acentric) | Â | Â | 0.814/0.723 | 1.799/1.894 | 1.036/0.859 | Â | Â |
Figure of merit (Centric/Acen.) | 0.74/0.64 | Â | Â | Â | Â | Â | Â |
Refinement | Â | Â | Â | Â | Â | Â | Â |
Resolution (Ã…) | 50.0-2.40 | 5.0-2.40 | Â | Â | Â | 50.0-2.00 | 50.0-2.70 |
R work/R free a (%) | 22.8/29.9 | 21.6/29.0 | Â | Â | Â | 22.3/25.8 | 23.1/29.4 |
Number of atoms | Â | Â | Â | Â | Â | Â | Â |
   Protein | 5202 | 5374 |  |  |  | 5603 | 5599 |
   Water | 90 | 113 |  |  |  | 300 | 65 |
   Ligand | 25 | 47 |  |  |  | - | 31 |
Average B-factor (Ã…2) | Â | Â | Â | Â | Â | Â | Â |
   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. | Â | Â | Â | Â | Â | Â | Â |
Bond Lengths(Ã…) | 0.008 | 0.009 | Â | Â | Â | 0.007 | 0.008 |
Angles(°) | 1.3 | 1.3 |  |  |  | 1.3 | 1.3 |
PDB code | 2ZJ2 | 2ZJ5 | Â | Â | Â | 2ZJ8 | 2ZJA |