Table 1 Summary of Crystallographic Statistics

Radiation Å

1.11587

Space Group

P2₁2₁2₁

Unit Cell Dimensions Å

a = 44.43

b = 52.09

c = 86.68

Resolution Å

52 – 2.1

Completeness % (last shell)

98.7 (98.7)

Rsym % (last shell)

6 (36.2)

Multiplicity (last shell)

3.9 (3.9)

Overall I/s (last shell)

9.1 (2.0)

Wilson B factor

35.08

Molecular Replacement

Search Model

PDB ID 1ROC

R factor*

32.2

Correlation coefficient*

0.876

Structural Refinement

Resolution Å (last bin)

30 – 2.2 (2.257–2.20)

Number of nonhydrogen atoms

1429

Munber of protein atoms

1338

Number of water atoms

91

Overall reflections (last shell)

9995 (720)

Test reflections (last shell)

500 (42)

R_work/R_free %

19.6/23.9

Rmsd_bonds/angles

0.017/1.614

Ramachandran % (No. of residues)

   Most favored

99.39 (162)

   Allowed

0.61 (1)

Average B factors

   Protein

55.87

   Water

62.41