Table 1.

Crystallography data collection and refinement statistics

ParametersArr (PDB ID 6CZ7)Arr with arsenate (PDB ID 6CZ8)Arr with arsenite (PDB ID 6CZ9)Arr with phosphate (PDB ID 6CZA)
Cryoprotection
 BufferHepes, pH 7.5MES, pH 6.0Hepes, pH 7.5MES, pH 6.0
Data collection
 Space groupC2C2C2C2
 Unit cell
  a, b, c, Å231.26, 85.64, 146.68233.162, 86.344, 148.221232.512, 86.306, 147.367232.397, 86.366, 147.429
  α, β, γ, °90, 127.84, 9090, 127.675, 9090, 127.72, 9090, 127.608, 90
 Resolution range, Å46.91–1.62 (1.678–1.62)39.1–1.78 (1.844–1.78)39.37–1.80 (1.864–1.80)37.70–1.71 (1.771–1.71)
 Unique reflections286,352 (28,526)222,359 (22,113)209,823 (20,962)245,023 (23,784)
Rpim, %3.1 (32.0)3.4 (30.3)3.2 (31.3)3.3 (31.1)
 <I/σ(I)>17.77 (2.40)15.94 (2.35)17.49 (2.27)15.71 (2.17)
 Completeness, %99.93 (99.99)99.85 (99.84)98.35 (98.89)98.33 (95.72)
 Multiplicity6.8 (6.6)6.8 (7.0)6.9 (7.0)6.9 (6.6)
 Wilson B factor, Å218.1023.4023.7720.40
Refinement
Rwork/Rfree0.1374/0.15470.1372/0.16810.1422/0.16940.1317/0.1535
 No. of non-H atoms
  Protein16,45216,42916,32016,448
  Water2,4352,2412,2882,378
 RMSD
  Bond lengths, Å0.0070.0100.0060.009
  Bond angles, °1.271.231.161.29
 Average B factors, Å2
  Protein25.8530.2231.2126.76
  Ligands23.0427.3028.6423.78
  Water35.3438.3739.3736.77
 Ramachandran, %
  Favored96.8896.7396.7896.92
  Allowed2.882.982.982.79
  Outliers0.240.290.240.29
  • Values in parentheses are for the highest-resolution shell.