Skip to main content

Table 2 Processing and refinement statistics for IL-4 and variants

From: A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor

Crystal

IL-4 WT

IL-4T13D

IL-4F82D

IL-4 T13DF82D

IL-4R85A

IL-4 T13DR85A

IL-4 F82DR85A

Spacegroup

P41212

Beamline

ESRF ID14

SLS XS06

SLS XS06

ESRF ID14

Rigaku MicroMax007, VariMaxCu HighRes

Wavelength

0.9500

0.9178

0.9183

0.9500

1.5418

1.5418

1.5418

Unit Cell (Ã…)

a = b = 90.54, c = 46.07

a = b = 90.53, c = 45.91

a = b = 90.97, c = 46.08

a = b = 91.03, c = 46.02

a = b = 91.13, c = 45.82

a = b = 91.33, c = 45.78

a = b = 91.20, c = 46.00

Resolution (Ã…)

20.5 – 1.8 (1.9 – 1.8)

10.6 – 1.65(1.74 – 1.65)

28.7 – 1.6 (1.69 – 1.6)

20.5 – 1.8 (1.9 – 1.8)

32.3 – 2.35 (2.43 – 2.35)

45.7 – 2.1 (2.18 – 2.1)

26.4 – 2.0 (2.07 – 2.0)

Total Reflections

94871 (18941)

152584 (40910)

375353 (34716)

104168 (24465)

36412 (3611)

60477 (6012)

70758 (6893)

Completeness (%)

99.0 (98.5)

97.1 (98.1)

100.0 (99.9)

99.6 (100.0)

98.9 (99.6)

99.4 (98.7)

98.9 (98.2)

Multiplicity

5.2 (3.6)

6.7 (6.4)

14.4 (9.3)

5.7 (4.7)

4.35 (4.32)

5.16 (5.15)

5.26 (5.29)

Rmerge

0.058 (0.230)

0.092 (0.172)

0.080 (0.291)

0.071 (0.211)

0.056 (0.265)

0.055 (0.258)

0.050 (0.278)

Average I/sigma

18.6 (4.6)

17.6 (5.2)

26.6 (5.7)

15.2 (4.9)

17.3 (4.6)

18.2 (5.6)

19.2 (5.2)

Refinement

       

Resolution (outer shell) (Ã…)

14.9 – 1.8 (1.85 – 1.8)

10.0 – 1.65 (1.69 – 1.65)

20.0 – 1.7 (1.74 – 1.7)

14.8 – 1.8 (1.85 – 1.8)

20.0 – 2.50 (2.56 – 2.50)

20.0 – 2.1 (2.15 – 2.1)

20.0 – 2.0 (2.05 – 2.0)

# of reflections/in test set

17121/926 (1225/74)

21555/1142 (1533/84)

20694/1100 (1492/77)

17414/942 (1248/70)

6654/334 (472/28)

11162/555 (818/34)

12767/664 (893/55)

R factor

0.211 (0.219)

0.221 (0.253)

0.226 (0.246)

0.218 (0.263)

0.214 (0.224)

0.214 (0.250)

0.205 (0.253)

Free R factor

0.244 (0.272)

0.247 (0.319)

0.248 (0.281)

0.241 (0.303)

0.264 (0.316)

0.249 (0.337)

0.258 (0.308)

Average B factor (Ã…2)

27.2

21.1

34.8

26.4

34.5

22.1

28.8

R.m.s.d. Bonds

0.017

0.018

0.011

0.011

0.012

0.016

0.014

R.m.s.d. Angles

1.597

1.695

1.322

1.194

1.400

1.661

1.379

Ramachandran

       

Most favored

89.4

91.9

89.4

91.9

91.1

92.7

92.7

Additionally favored

9.8

8.1

10.6

7.3

8.9

7.3

7.3

Generously or disallowed

0.8 (1, Thr22)

-

-

0.8 (1, Lys37)

-

-

-