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. Author manuscript; available in PMC: 2014 Apr 1.
Published in final edited form as: Nat Struct Mol Biol. 2013 Sep 15;20(10):10.1038/nsmb.2668. doi: 10.1038/nsmb.2668

Table 2.

Data collection and refinement statistics

p38α:TAB1
Monoclinic		 p38α:TAB1
Tetragonal		 p38α:TAB1:SO4
Tetragonal
Data collection
Space group P 21 P 41 P 41
Cell dimensions
 a, b, c (Å) 43.3, 73.6, 59.2 86.5, 86.5, 226.9 87.1, 87.1, 228.3
 α, β, γ (°) 90.0, 91.2, 90.0 90.0, 90.0, 90.0 90.0, 90.0, 90.0
Resolution (Å) 59.18-1.95 (2.06-1.95) * 80.86-2.05 (2.16-2.05) * 43.55-2.32 (2.45-2.32) *
R merge 0.061 (0.758) 0.084 (0.422) 0.077 (0.707)
I / σI 12.3 (2.0) 8.5 (2.1) 10.4 (2.0)
Completeness (%) 99.4 (98.7) 99.5 (97.1) 98.7 (99.6)
Redundancy 4.1 (3.9) 3.2 (2.5) 3.3 (3.4)
Refinement
Resolution (Å) 46.11-1.95 86.55-2.05 42.78-2.32
No. reflections 27,022 (3,898) 103494 (14756) 72211 (10608)
Rwork / Rfree 0.198/ 0.250 0.148/ 0.186 0.192/ 0.236
No. atoms
 Protein p38α 2779 11262 11254
 Protein TAB1 155 595 598
 Others 196 1045 626
B factors
 Protein p38α 45 32 47
 Protein TAB1 71 43 61
 Others 43 35 44
r.m.s. deviations
 Bond lengths (Å) 0.016 0.015 0.013
 Bond angles (°) 1.6 1.6 1.5
*

Values in parentheses are for highest-resolution shell.

The Protein Data Bank accession codes are 4LOO, 4LOP, 4LOQ, respectively