Table 1 Refinement and validation statistics for the CHAP _K structure

PDB code

4CSH

4CT3

Space group

P 1

P 1

Cell edges (a, b, c, Å)

39.2, 61.5, 73.2

39.0, 61.5, 72.8

Cell angles (α, β, γ, º)

91.5, 98.7, 90.1

91.8, 98.7, 90.0

Resolution range used (Å)

32.9-1.79 (1.88-1.79)^a

61.5-1.69 (1.78-1.69)

Multiplicity

2.0 (1.9)

3.4 (3.2)

Completeness

97.2 (94.3)

64.7 (10.4)

Mean <I/sigma(I)>

6.3 (2.9)

11.8 (1.8)

R_sym (%)^b

9.1 (25.1)

6.0 (62.0)

Number of reflections used

59686 (8628)

46067 (1349)

Number of reflections used for R-free

2338 (112)

2431 (62)

R-factor^c

0.175 (0.233)

0.181 (0.278)

R-free

0.201 (0.282)

0.224 (0.295)

Number of atoms (protein/water/other)

5286/741/66

5259/770/104

Average B-value/Wilson B-value (Ų)

18.4/14.5

22.2/14.9

Ramachandran statistics^d (%)

97.7/100.0

98.2/100.0

R.m.s. deviations^e (bonds, Å/angles, °)

0.015/1.49

0.012/1.37